Geometry & MOs

Info

ID:	252669
PubChem CID:	103113134
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	-18.15
Dipole, Da:	6.33
IP(EA), eV:	-8.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCCC2=CSC(=O)N2

DOS

IR

Vibrations