Geometry & MOs

Info

ID:	288819
PubChem CID:	104326439
Reduced:	FON5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	305.073118
ΔH_f, kcal/mol:	19.36
Dipole, Da:	5.23
IP(EA), eV:	-8.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-(4-ethoxy-3-fluorophenyl)benzimidazol-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N2C3=C(C(=NN3C)C)N=C2N)F

DOS

IR

Vibrations