Geometry & MOs

Info

ID:	309991
PubChem CID:	126572515
Reduced:	BrON2F3H8C10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-157.55
Dipole, Da:	1.57
IP(EA), eV:	-9.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2-methoxypropyl)-2-methylbenzimidazol-5-yl]-1,3-dimethylpyridin-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)N(C=N2)CCOC(F)(F)F

DOS

IR

Vibrations