Geometry & MOs

Info

ID:

314375

PubChem CID:

126621724

Reduced:

NOH14C25 (2)

Stoich.:

ABC14D25 (2)

Weight, g/mol:

740.319149

ΔHf, kcal/mol:

166.2

Dipole, Da:

0.91

IP(EA), eV:

 -8.05(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C5C(=C4)C=CC6=C5OC7=C6C=C(C=C7)C8=CC9=C(C=C8)NC1=C9C=C2C=CC3=C(C2=C1)OC1=CC=CC=C31

DOS

IR

Vibrations