Geometry & MOs

Info

ID:	130558
PubChem CID:	51091227
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-186.38
Dipole, Da:	5.12
IP(EA), eV:	-9.58(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-oxoethyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=CC=CC(=C2)COC

DOS

IR

Vibrations