Geometry & MOs

Info

ID:	84347
PubChem CID:	49865952
Reduced:	ClNOC22H22 (1)
Stoich.:	ABCD22E22 (1)
Weight, g/mol:	413.096281
ΔH_f, kcal/mol:	15.89
Dipole, Da:	2.94
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2,5-bis(trifluoromethyl)phenyl]phenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NCC2=CC(=CC=C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations