Geometry & MOs

Info

ID:

105118

PubChem CID:

50106407

Reduced:

FO3N4C30H33 (1)

Stoich.:

AB3C4D30E33 (1)

Weight, g/mol:

534.244247

ΔHf, kcal/mol:

-137.94

Dipole, Da:

9.51

IP(EA), eV:

 -8.59(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations