Geometry & MOs

Info

ID:

165483

PubChem CID:

74555702

Reduced:

N3O3C19H26 (1)

Stoich.:

A3B3C19D26 (1)

Weight, g/mol:

343.189592

ΔHf, kcal/mol:

-76.8

Dipole, Da:

11.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.921948

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-4-oxo-3H-quinoline-6-carboxylate

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)CC2C(=NC3=C(C2=O)C=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations