Geometry & MOs

Info

ID:	398210
PubChem CID:	135032319
Reduced:	FO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-125.76
Dipole, Da:	2.71
IP(EA), eV:	-9.7(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[1-methyl-5-[(5Z)-2-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-4-yl]pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(O1)CC2=CC(=CC=C2)F

DOS

IR

Vibrations