Geometry & MOs

Info

ID:

296776

PubChem CID:

117592244

Reduced:

N2O6C53H66 (1)

Stoich.:

A2B6C53D66 (1)

Weight, g/mol:

578.210298

ΔHf, kcal/mol:

-126.7

Dipole, Da:

3.79

IP(EA), eV:

 -8.0(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;(2-hydroxy-4-methoxyphenyl)-phenylmethanone;hydrochloride

Drug info:

PubChemData

Smile

CC1=CCC(C=CCC(=CCC1)C)(C)C.CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

DOS

IR

Vibrations