Geometry & MOs

Info

ID:	276734
PubChem CID:	103824843
Reduced:	OSN4C9H14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	178.085461
ΔH_f, kcal/mol:	-3.85
Dipole, Da:	3.07
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-4-ynyl-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC(=O)C2=NC=NN2

DOS

IR

Vibrations