Geometry & MOs

Info

ID:	173567
PubChem CID:	75654338
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	348.108562
ΔH_f, kcal/mol:	-77.44
Dipole, Da:	3.31
IP(EA), eV:	-9.24(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-6-[4-phenyl-3-(trifluoromethyl)-1,4-dihydropyrazol-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1CCC2C(C1)NC3C2NC(N(C3=O)N=CC4=CC=CC=C4Cl)O

DOS

IR

Vibrations