Geometry & MOs

Info

ID:	310582
PubChem CID:	126582872
Reduced:	F2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	429.222784
ΔH_f, kcal/mol:	-183.59
Dipole, Da:	6.18
IP(EA), eV:	-8.63(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxypropyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC(=C(C=C2)NC(=O)C3CC(C3)(F)F)N=C(C)COC

DOS

IR

Vibrations