Geometry & MOs

Info

ID:	36462
PubChem CID:	8007116
Reduced:	F2N2O3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	336.043233
ΔH_f, kcal/mol:	-182.2
Dipole, Da:	4.02
IP(EA), eV:	-8.46(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(5R)-5-(3-chloro-4-methoxyphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OC)CC(=O)NC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations