Geometry & MOs

Info

ID:	23815
PubChem CID:	606194
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	3.61
Dipole, Da:	4.55
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1C2=CC=CC=C2CC(C3=CC=CC=C31)N

DOS

IR

Vibrations