Geometry & MOs

Info

ID:	207268
PubChem CID:	80368483
Reduced:	OF2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	209.12766
ΔH_f, kcal/mol:	-103.91
Dipole, Da:	1.25
IP(EA), eV:	-8.34(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=C(C=C2)F)F)N

DOS

IR

Vibrations