Geometry & MOs

Info

ID:

194823

PubChem CID:

78593851

Reduced:

N3O6H10C20 (1)

Stoich.:

A3B6C10D20 (1)

Weight, g/mol:

327.147058

ΔHf, kcal/mol:

37.55

Dipole, Da:

4.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.984471

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)oxymethyl]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)N=CC4=CC=C(C=C4)C(=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations