Geometry & MOs

Info

ID:	343534
PubChem CID:	127266707
Reduced:	SO3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	278.112738
ΔH_f, kcal/mol:	-16.08
Dipole, Da:	3.17
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(4-methyl-3-nitropyridin-2-yl)amino]propyl]-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NC(CO)C2=CSC(=N2)C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations