Geometry & MOs

Info

ID:

85908

PubChem CID:

49880047

Reduced:

ClN2O2H16C17 (1)

Stoich.:

AB2C2D16E17 (1)

Weight, g/mol:

377.080528

ΔHf, kcal/mol:

8.97

Dipole, Da:

2.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.851393

Charge, e:

 -1

Chem-info

IUPAC name:

3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoic acid;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=N1)OC)NC3=CC=C(C=C3)O.[Cl-]

DOS

IR

Vibrations