Geometry & MOs

Info

ID:	276730
PubChem CID:	103824834
Reduced:	OSN4C10H16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	1.02
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CSC1CCCCC1NC(=O)C2=NC=NN2

DOS

IR

Vibrations