Geometry & MOs

Info

ID:	435153
PubChem CID:	135182125
Reduced:	ON5C10H15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	334.07968
ΔH_f, kcal/mol:	1.37
Dipole, Da:	3.78
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-chloro-5-fluoropyrimidin-4-yl)-6-fluoro-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CN=C(N=C2)N

DOS

IR

Vibrations