Geometry & MOs

Info

ID:	387025
PubChem CID:	134983717
Reduced:	NSO4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	374.08135
ΔH_f, kcal/mol:	-34.53
Dipole, Da:	6.26
IP(EA), eV:	-9.09(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-chloroethyl(methyl)amino]diazenyl]-N-(3-chlorophenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

C=C/C=C(/CSCCO)\C(=O)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations