Geometry & MOs

Info

ID:

113204

PubChem CID:

50434655

Reduced:

O4N5C35H49 (1)

Stoich.:

A4B5C35D49 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-187.5

Dipole, Da:

8.7

IP(EA), eV:

 -8.68(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NC4CCCCC4C)C)C

DOS

IR

Vibrations