Geometry & MOs

Info

ID:	436709
PubChem CID:	135207919
Reduced:	ON4H34C43 (1)
Stoich.:	AB4C34D43 (1)
Weight, g/mol:	323.2613
ΔH_f, kcal/mol:	212.92
Dipole, Da:	0.93
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,11-tri(propan-2-yl)-5,6,7,8-tetrahydrobenzo[b][1]benzazepine

Drug info:

PubChemData

Smile

C/C(=C\C=C/C=C)/C1=CC=C(C=C1)C2=CN(N=C2)C3=CC(=CC=C3)OC4=CC=CC(=C4)N5C=C(C=N5)C6=CC=C(C=C6)C7=CC=CC=C7

DOS

IR

Vibrations