Geometry & MOs

Info

ID:	151650
PubChem CID:	56260975
Reduced:	O3N4F5H15C19 (1)
Stoich.:	A3B4C5D15E19 (1)
Weight, g/mol:	430.116522
ΔH_f, kcal/mol:	-251.25
Dipole, Da:	4.14
IP(EA), eV:	-8.62(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)F)C(F)(F)F)F

DOS

IR

Vibrations