Geometry & MOs

Info

ID:	85925
PubChem CID:	49880291
Reduced:	ClO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	391.080922
ΔH_f, kcal/mol:	4.28
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818912
Charge, e:	-1

Chem-info

IUPAC name:

6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine;chloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OC)OC.[Cl-]

DOS

IR

Vibrations