Geometry & MOs

Info

ID:	310579
PubChem CID:	126582827
Reduced:	F2O2N3C24H29 (1)
Stoich.:	A2B2C3D24E29 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-162.36
Dipole, Da:	4.69
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC3=C(C=C2)N=C(N3[C@H](C)COC)C4CCC(CC4)(F)F

DOS

IR

Vibrations