Geometry & MOs

Info

ID:	346145
PubChem CID:	127270633
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-117.55
Dipole, Da:	0.67
IP(EA), eV:	-8.72(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)-4-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)N2CCN(CC2)C

DOS

IR

Vibrations