Geometry & MOs

Info

ID:

39679

PubChem CID:

8141859

Reduced:

ClO2N3C20H23 (1)

Stoich.:

AB2C3D20E23 (1)

Weight, g/mol:

371.140055

ΔHf, kcal/mol:

-31.79

Dipole, Da:

6.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757963

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations