Geometry & MOs

Info

ID:	435238
PubChem CID:	135185865
Reduced:	OF2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	320.06403
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	5.62
IP(EA), eV:	-9.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-cyclopropyl-2-[4-(difluoromethyl)pyrimidin-5-yl]benzimidazole

Drug info:

PubChemData

Smile

CCC1=NC=NC=C1C(=O)NC2=CC(=C(C=C2NC3CC3)F)F

DOS

IR

Vibrations