Geometry & MOs

Info

ID:	271865
PubChem CID:	103694364
Reduced:	FN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	13.03
IP(EA), eV:	-8.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C\1=CC(=O)C(=C/C1=C\2/NC=C(N2)CO)F

DOS

IR

Vibrations