Geometry & MOs

Info

ID:	367254
PubChem CID:	127324031
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-56.16
Dipole, Da:	2.92
IP(EA), eV:	-8.71(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexylethyl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations