Geometry & MOs

Info

ID:	436420
PubChem CID:	135200847
Reduced:	ON2C11H20 (2)
Stoich.:	AB2C11D20 (2)
Weight, g/mol:	357.04767
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	3.89
IP(EA), eV:	-8.8(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(2,4-dimethylphenyl)-7-methoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

CCCCN(CCC(C)NCCN(C)CCCN)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations