Geometry & MOs

Info

ID:	435958
PubChem CID:	135193015
Reduced:	ON4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	288.057802
ΔH_f, kcal/mol:	62.96
Dipole, Da:	1.4
IP(EA), eV:	-9.33(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-cyclopropyl-6-fluoro-2-pyrimidin-5-ylbenzimidazole

Drug info:

PubChemData

Smile

CC1=NC=NC=C1C2=NC3=C(N2C4CC4)C=C(C=C3)C(=O)C

DOS

IR

Vibrations