Geometry & MOs

Info

ID:	336544
PubChem CID:	127255551
Reduced:	ClFN3H5C8 (1)
Stoich.:	ABC3D5E8 (1)
Weight, g/mol:	461.025786
ΔH_f, kcal/mol:	8.52
Dipole, Da:	3.93
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,7-N-bis(3-chloro-4-fluorophenyl)-6-nitroquinazoline-4,7-diamine

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1N)F)N=CN=C2Cl

DOS

IR

Vibrations