Geometry & MOs

Info

ID:

85909

PubChem CID:

49880068

Reduced:

ClO2N4H14C20 (1)

Stoich.:

AB2C4D14E20 (1)

Weight, g/mol:

377.080528

ΔHf, kcal/mol:

36.84

Dipole, Da:

8.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.116045

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC4=CC=CC(=C4)C(=O)O.[Cl-]

DOS

IR

Vibrations