Geometry & MOs

Info

ID:	410984
PubChem CID:	135083788
Reduced:	OC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	0.6
Dipole, Da:	2.04
IP(EA), eV:	-9.6(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[(4-fluorophenyl)methylidene]-5,5-dimethyl-4H-pyrazol-1-ium-3-olate

Drug info:

PubChemData

Smile

CC(=C)COCC=C1CC1

DOS

IR

Vibrations