Geometry & MOs

Info

ID:

167355

PubChem CID:

74814057

Reduced:

N3O3H22C25 (1)

Stoich.:

A3B3C22D25 (1)

Weight, g/mol:

216.089878

ΔHf, kcal/mol:

44.69

Dipole, Da:

32.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.969262

Charge, e:

 0

Chem-info

IUPAC name:

2-azaniumyl-3-quinolin-4-ylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=NC4=C(C(C3=C(N2)C)C5=CC=C(C=C5)C(=O)[O-])C(=O)CCC4

DOS

IR

Vibrations