Geometry & MOs

Info

ID:	299954
PubChem CID:	118043408
Reduced:	NOC9H15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	349.038482
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	3.66
IP(EA), eV:	-9.6(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]1NC(=O)C=C

DOS

IR

Vibrations