Geometry & MOs

Info

ID:

186552

PubChem CID:

77444351

Reduced:

O3N4C36H48 (1)

Stoich.:

A3B4C36D48 (1)

Weight, g/mol:

589.213507

ΔHf, kcal/mol:

-109.63

Dipole, Da:

11.66

IP(EA), eV:

 -8.2(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-2-[[4-[4-[3-chloro-5-(1H-imidazol-2-yl)pyridin-2-yl]-2-(2-fluoroethyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C4=C(N3CCN2CCN5CCCC(C5)CCN(C)C(=O)C)C=C(C=C4)C(=O)O)C6CCCCC6

DOS

IR

Vibrations