Geometry & MOs

Info

ID:	121189
PubChem CID:	50758102
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	3.3
IP(EA), eV:	-8.48(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=CC=CC=C21)N3C(=O)CCCC4=CC=CC=C43

DOS

IR

Vibrations