Geometry & MOs

Info

ID:	130802
PubChem CID:	51109104
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	349.002097
ΔH_f, kcal/mol:	38.62
Dipole, Da:	3.07
IP(EA), eV:	-8.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dichloro-4-[(2-nitrophenyl)methoxy]quinazoline

Drug info:

PubChemData

Smile

C1C(CN2C(=N1)C=CN2)CNCCCNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations