Geometry & MOs

Info

ID:

314374

PubChem CID:

126621723

Reduced:

NOH15C26 (1)

Stoich.:

ABC15D26 (1)

Weight, g/mol:

688.215078

ΔHf, kcal/mol:

84.14

Dipole, Da:

2.61

IP(EA), eV:

 -8.06(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(3-oxa-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)-22-phenyl-3-oxa-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=C2C(=C1)C=CC3=C2C4=C(N3)C=C5C(=C4)C=CC6=C5C7=CC=CC=C7O6

DOS

IR

Vibrations