Geometry & MOs

Info

ID:

222890

PubChem CID:

85332931

Reduced:

O7N9C25H47 (1)

Stoich.:

A7B9C25D47 (1)

Weight, g/mol:

586.27669

ΔHf, kcal/mol:

-370.43

Dipole, Da:

5.06

IP(EA), eV:

 -9.21(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NCC)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C

DOS

IR

Vibrations