Geometry & MOs

Info

ID:	178631
PubChem CID:	76358534
Reduced:	F2O3N5C23H25 (1)
Stoich.:	A2B3C5D23E25 (1)
Weight, g/mol:	401.135111
ΔH_f, kcal/mol:	-113.77
Dipole, Da:	6.58
IP(EA), eV:	-8.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,4,4-trifluoro-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)NC2=CC(=NN2C3=NC=CC=N3)C(C)(C)C)OC(F)F

DOS

IR

Vibrations