Geometry & MOs

Info

ID:

214968

PubChem CID:

85083933

Reduced:

O3N7C38H53 (1)

Stoich.:

A3B7C38D53 (1)

Weight, g/mol:

655.446141

ΔHf, kcal/mol:

-115.68

Dipole, Da:

5.34

IP(EA), eV:

 -8.56(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[4-[4-[ethyl-[1-[(4-methoxypyridin-3-yl)methyl]piperidin-4-yl]amino]butoxy]butyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2CCN(CC2)C(=O)C(CC3=CC4=C(CCCC4)C=C3)NC(=O)N5CCC(CC5)N6CCC7=CC=CC=C7NC6=O

DOS

IR

Vibrations