Geometry & MOs

Info

ID:	269856
PubChem CID:	103619432
Reduced:	ClN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	284.096106
ΔH_f, kcal/mol:	-27.69
Dipole, Da:	8.97
IP(EA), eV:	-7.84(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations