Geometry & MOs

Info

ID:	358928
PubChem CID:	127296819
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-118.53
Dipole, Da:	2.4
IP(EA), eV:	-9.23(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N2CCC(CC2)N3CCNC3=O

DOS

IR

Vibrations