Geometry & MOs

Info

ID:	207357
PubChem CID:	80386629
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	262.154209
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	5.91
IP(EA), eV:	-9.27(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-propan-2-ylpyrazol-4-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)C(=O)N(C)CC2CCC2

DOS

IR

Vibrations