Geometry & MOs

Info

ID:

114657

PubChem CID:

50491230

Reduced:

N3O3C20H22 (2)

Stoich.:

A3B3C20D22 (2)

Weight, g/mol:

585.295119

ΔHf, kcal/mol:

-180.42

Dipole, Da:

4.02

IP(EA), eV:

 -8.11(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)OC)C

DOS

IR

Vibrations