Geometry & MOs

Info

ID:	121187
PubChem CID:	50758020
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-104.41
Dipole, Da:	4.77
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-morpholin-4-ylpropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C(=O)C1)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations