Geometry & MOs

Info

ID:	309989
PubChem CID:	126572495
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	455.122354
ΔH_f, kcal/mol:	-72.82
Dipole, Da:	4.92
IP(EA), eV:	-8.07(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-1-methyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC(=C(C=C2)N)N[C@H](C)COC(C)C

DOS

IR

Vibrations