Geometry & MOs

Info

ID:

105170

PubChem CID:

50106537

Reduced:

N6O6C31H42 (1)

Stoich.:

A6B6C31D42 (1)

Weight, g/mol:

530.269319

ΔHf, kcal/mol:

-236.07

Dipole, Da:

6.16

IP(EA), eV:

 -8.89(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations