Geometry & MOs

Info

ID:

222955

PubChem CID:

85333466

Reduced:

N7O10C33H55 (1)

Stoich.:

A7B10C33D55 (1)

Weight, g/mol:

711.209051

ΔHf, kcal/mol:

-501.4

Dipole, Da:

2.99

IP(EA), eV:

 -9.7(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-chlorophenyl)-1-oxo-1-[4-(2-piperidin-3-yloxyphenyl)piperazin-1-yl]propan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide;trihydrochloride

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C(C)N

DOS

IR

Vibrations