Geometry & MOs

Info

ID:	435235
PubChem CID:	135185732
Reduced:	IF3N3O3C21H25 (1)
Stoich.:	AB3C3D3E21F25 (1)
Weight, g/mol:	288.057802
ΔH_f, kcal/mol:	-158.07
Dipole, Da:	7.73
IP(EA), eV:	-9.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloropyrimidin-5-yl)-1-cyclopropyl-6-fluorobenzimidazole

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=CN1C23CC(C2)(C3)N)I)OCC4=CC=CC=C4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations