Geometry & MOs

Info

ID:

314382

PubChem CID:

126621732

Reduced:

NOH17C28 (1)

Stoich.:

ABC17D28 (1)

Weight, g/mol:

688.215078

ΔHf, kcal/mol:

90.99

Dipole, Da:

2.15

IP(EA), eV:

-8.19(-1.0)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

18-(9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)NC4=C3C=C5C=CC6=C(C5=C4)C7=CC=CC=C7O6

DOS

IR

Vibrations