Geometry & MOs

Info

ID:	387090
PubChem CID:	134983948
Reduced:	N2O3C6H7 (2)
Stoich.:	A2B3C6D7 (2)
Weight, g/mol:	470.058028
ΔH_f, kcal/mol:	-109.62
Dipole, Da:	6.02
IP(EA), eV:	-9.72(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-chloro-N-(2-chloroethyl)anilino]diazenyl]-N-(3-chlorophenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)CN=NNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations