Geometry & MOs

Info

ID:

85906

PubChem CID:

49880025

Reduced:

BrClO2N3H10C11 (1)

Stoich.:

ABC2D3E10F11 (1)

Weight, g/mol:

372.01144

ΔHf, kcal/mol:

-34.04

Dipole, Da:

3.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.979504

Charge, e:

 -1

Chem-info

IUPAC name:

6-[(6-bromoquinazolin-4-yl)amino]hexanoic acid;chloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=NC=N2)NCCC(=O)O.[Cl-]

DOS

IR

Vibrations