Geometry & MOs

Info

ID:	313194
PubChem CID:	126612492
Reduced:	ON3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	-20.04
Dipole, Da:	7.39
IP(EA), eV:	-9.44(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-oxo-4-(propan-2-ylamino)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C(=O)NCC1)N=CN2

DOS

IR

Vibrations