Geometry & MOs

Info

ID:	157917
PubChem CID:	56459002
Reduced:	OF4N5H13C22 (1)
Stoich.:	AB4C5D13E22 (1)
Weight, g/mol:	371.124547
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	2.04
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,4,4-trifluoro-3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]but-2-enamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)NC3=CC4=C(C=C3)N=C(N4)C5=C(C=CC(=C5)F)F)NC(=N2)C(F)F

DOS

IR

Vibrations