Geometry & MOs

Info

ID:	345916
PubChem CID:	127270216
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-50.98
Dipole, Da:	3.12
IP(EA), eV:	-8.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCCN(C1)C(=O)CN2CC3=CC=CC=C3C4=CC=CC=C4C2

DOS

IR

Vibrations