Geometry & MOs

Info

ID:	387384
PubChem CID:	134985186
Reduced:	ClN3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	464.1283
ΔH_f, kcal/mol:	102.06
Dipole, Da:	5.89
IP(EA), eV:	-8.66(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[benzyl(2-chloropropyl)amino]diazenyl]-N-(3-chlorophenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CC(CN(C)N=NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Cl)Cl

DOS

IR

Vibrations