Geometry & MOs

Info

ID:	354455
PubChem CID:	127286899
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-55.34
Dipole, Da:	4.27
IP(EA), eV:	-9.54(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylcyclohexyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1CNC(=O)N2CCC(CC2)C#N

DOS

IR

Vibrations