Geometry & MOs

Info

ID:	345917
PubChem CID:	127270217
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-44.49
Dipole, Da:	7.88
IP(EA), eV:	-8.93(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)propanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC(=O)CN2CC3=CC=CC=C3C4=CC=CC=C4C2

DOS

IR

Vibrations