Geometry & MOs

Info

ID:	150733
PubChem CID:	53790428
Reduced:	NCl2O3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	2.52
IP(EA), eV:	-8.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexa-1,5-dien-1-ylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1OCCCCON=C(C)C2=CC=CC=C2)CC)OCC=C(Cl)Cl

DOS

IR

Vibrations