Geometry & MOs

Info

ID:	147722
PubChem CID:	53787379
Reduced:	OC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	468.166077
ΔH_f, kcal/mol:	-11.54
Dipole, Da:	3.78
IP(EA), eV:	-9.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-ethyl-3-(4-hydroxyphenyl)-2-phenyl-1-(trifluoromethyl)-3H-pyrazol-5-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CCC(=CC1=CC=C(C=C1)C)C=O

DOS

IR

Vibrations