Geometry & MOs

Info

ID:	354418
PubChem CID:	127286862
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	4.33
IP(EA), eV:	-9.57(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylcyclohexyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)CNC(=O)N2CCC(CC2)C#N

DOS

IR

Vibrations