Geometry & MOs

Info

ID:	358936
PubChem CID:	127296827
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-125.79
Dipole, Da:	2.82
IP(EA), eV:	-9.27(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-(4-methylcyclohexyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations