Geometry & MOs

Info

ID:	354568
PubChem CID:	127287182
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	4.17
IP(EA), eV:	-9.54(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CCCCC1NC(=O)N2CCC(CC2)C#N

DOS

IR

Vibrations