Geometry & MOs

Info

ID:	271864
PubChem CID:	103694363
Reduced:	OCl2N2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	208.064806
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	2.19
IP(EA), eV:	-9.29(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-fluoro-4-[4-(hydroxymethyl)-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C2=NC=C(N2)CO)Cl

DOS

IR

Vibrations