Geometry & MOs

Info

ID:	354578
PubChem CID:	127287192
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-61.57
Dipole, Da:	5.04
IP(EA), eV:	-9.46(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-(3-propan-2-ylcyclohexyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCCC(C1)NC(=O)N2CCC(CC2)C#N

DOS

IR

Vibrations