Geometry & MOs

Info

ID:	269860
PubChem CID:	103619453
Reduced:	FN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	332.01604
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	7.85
IP(EA), eV:	-7.96(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN\1C2=C(C=C(C=C2)F)N/C1=C\3/C=CC(=O)C(=C3)O

DOS

IR

Vibrations