Geometry & MOs

Info

ID:	388592
PubChem CID:	134989569
Reduced:	ON2H8C14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	261.011205
ΔH_f, kcal/mol:	133.98
Dipole, Da:	7.74
IP(EA), eV:	-10.21(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,10-dichloro-11H-benzo[b][1]benzazepine

Drug info:

PubChemData

Smile

C1=CC23C4C=CC(C2(O3)C=C1)C(=C4C#N)C#N

DOS

IR

Vibrations