Geometry & MOs

Info

ID:	276729
PubChem CID:	103824827
Reduced:	ON6C9H12 (1)
Stoich.:	AB6C9D12 (1)
Weight, g/mol:	240.104482
ΔH_f, kcal/mol:	46.2
Dipole, Da:	1.0
IP(EA), eV:	-9.25(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNC(=O)C2=NC=NN2

DOS

IR

Vibrations