Geometry & MOs

Info

ID:

309380

PubChem CID:

126545823

Reduced:

N2O5C38H44 (1)

Stoich.:

A2B5C38D44 (1)

Weight, g/mol:

463.23

ΔHf, kcal/mol:

-139.04

Dipole, Da:

7.21

IP(EA), eV:

 -8.57(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-tert-butyl-12-methyl-23-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@H]2C3=CC(=C(C=C3CCN2C)CO)OC4=C(C=CC(=C4)C[C@H]5C6=CC(=C(C=C6CCN5C)CO)OC)O

DOS

IR

Vibrations