Geometry & MOs

Info

ID:	298732
PubChem CID:	117655031
Reduced:	F2N3O4H33C34 (1)
Stoich.:	A2B3C4D33E34 (1)
Weight, g/mol:	477.102429
ΔH_f, kcal/mol:	-194.89
Dipole, Da:	4.02
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethyl)-N-[2-[5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC(=O)[C@H](CC2=CC=CC=C2)NCCC3=CC=C(C=C3)C4=CC(=C(NC4=O)N)C(=O)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations