Geometry & MOs

Info

ID:	84196
PubChem CID:	49864987
Reduced:	Cl2N2F3O3C25H27 (1)
Stoich.:	A2B2C3D3E25F27 (1)
Weight, g/mol:	539.28964
ΔH_f, kcal/mol:	-290.71
Dipole, Da:	3.53
IP(EA), eV:	-9.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenoxyethyl)-3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(N=CC(=C2)C(F)(F)F)CCCC(=O)N3CCC4=C(C3)C(=C(C(=C4Cl)O)O)Cl

DOS

IR

Vibrations