Geometry & MOs

Info

ID:	276728
PubChem CID:	103824819
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	220.107259
ΔH_f, kcal/mol:	-39.43
Dipole, Da:	7.12
IP(EA), eV:	-9.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=NNC2=CC=CC=C21)C(=O)NC

DOS

IR

Vibrations