Geometry & MOs

Info

ID:	84348
PubChem CID:	49865953
Reduced:	ON3F6H13C19 (1)
Stoich.:	AB3C6D13E19 (1)
Weight, g/mol:	375.119461
ΔH_f, kcal/mol:	-277.75
Dipole, Da:	5.7
IP(EA), eV:	-9.71(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N

DOS

IR

Vibrations