Geometry & MOs

Info

ID:	269857
PubChem CID:	103619444
Reduced:	FN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	274.050905
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	7.74
IP(EA), eV:	-7.89(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(4-chloro-3-methyl-1H-benzimidazol-2-ylidene)-2-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CC1N\2C3=C(C=C(C=C3)F)N/C2=C/4\C=CC(=O)C(=C4)O

DOS

IR

Vibrations