Geometry & MOs

Info

ID:	269859
PubChem CID:	103619452
Reduced:	ClN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	272.096106
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	7.71
IP(EA), eV:	-7.98(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(3-ethyl-6-fluoro-1H-benzimidazol-2-ylidene)-2-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN\1C2=C(C=C(C=C2)Cl)N/C1=C\3/C=CC(=O)C(=C3)O

DOS

IR

Vibrations