Geometry & MOs

Info

ID:

39754

PubChem CID:

8142159

Reduced:

O2N4C22H25 (1)

Stoich.:

A2B4C22D25 (1)

Weight, g/mol:

409.236542

ΔHf, kcal/mol:

5.05

Dipole, Da:

3.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757965

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N)C

DOS

IR

Vibrations