Geometry & MOs

Info

ID:	354700
PubChem CID:	127287399
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-124.95
Dipole, Da:	4.85
IP(EA), eV:	-9.43(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclopentyl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC1NC(=O)N2CCC(CC2)N3CCCC3=O

DOS

IR

Vibrations