Geometry & MOs

Info

ID:	327889
PubChem CID:	126691242
Reduced:	NC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	406.119654
ΔH_f, kcal/mol:	43.57
Dipole, Da:	2.56
IP(EA), eV:	-8.68(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-azido-4-chloro-5-[(4-methoxyphenyl)methyl]-4,7-dihydro-3H-benzo[d][1]benzazepin-6-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24)N

DOS

IR

Vibrations