Geometry & MOs

Info

ID:	366555
PubChem CID:	127320071
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	8.5
IP(EA), eV:	-8.34(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imidazol-1-yl-5-methyl-N-(2-oxoazepan-3-yl)benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCN(CC3)CC(=O)NC

DOS

IR

Vibrations