Geometry & MOs

Info

ID:

149742

PubChem CID:

53789417

Reduced:

NOC3H3 (1)

Stoich.:

ABC3D3 (1)

Weight, g/mol:

1396.606049

ΔHf, kcal/mol:

21.09

Dipole, Da:

0.67

IP(EA), eV:

-10.69(-0.27)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-chloro-N-[(2E)-3-(3,4-dichlorophenyl)-2-hydroxyiminobutyl]-N,5-dimethylbenzamide;N-[(2E)-3-(3,4-dichlorophenyl)-2-methoxyiminobutyl]-N,3,5-trimethylbenzamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide;2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

[C-]#[N+]CC=O

DOS

IR

Vibrations