Geometry & MOs

Info

ID:	276946
PubChem CID:	103825907
Reduced:	NOC3H5 (3)
Stoich.:	ABC3D5 (3)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-107.82
Dipole, Da:	3.38
IP(EA), eV:	-9.49(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(2,3-dihydroxypropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)NCC(CO)O)C

DOS

IR

Vibrations