Geometry & MOs

Info

ID:	207264
PubChem CID:	80368063
Reduced:	OF2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	278.185509
ΔH_f, kcal/mol:	-95.85
Dipole, Da:	5.33
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CC2=C(C=CC=C2F)F)CN

DOS

IR

Vibrations