Geometry & MOs

Info

ID:	151638
PubChem CID:	56242106
Reduced:	OF2N2H9C10 (2)
Stoich.:	AB2C2D9E10 (2)
Weight, g/mol:	463.163138
ΔH_f, kcal/mol:	-186.32
Dipole, Da:	4.39
IP(EA), eV:	-8.96(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-5-(trifluoromethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1CNC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations