Geometry & MOs

Info

ID:	267985
PubChem CID:	103592924
Reduced:	N3F4H9C14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	413.9796
ΔH_f, kcal/mol:	-110.49
Dipole, Da:	1.93
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)N=C(N2C3=CC(=C(C(=C3)F)F)F)N

DOS

IR

Vibrations