Geometry & MOs

Info

ID:	207299
PubChem CID:	80373898
Reduced:	ON3C5H6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	250.088832
ΔH_f, kcal/mol:	25.88
Dipole, Da:	4.14
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC=N1)NC(=O)C2=NNN=N2

DOS

IR

Vibrations