Geometry & MOs

Info

ID:	327432
PubChem CID:	126689897
Reduced:	ClFON5C22H23 (1)
Stoich.:	ABCD5E22F23 (1)
Weight, g/mol:	441.97383
ΔH_f, kcal/mol:	5.44
Dipole, Da:	7.11
IP(EA), eV:	-8.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-N-[4-fluoro-3-(iodomethyl)phenyl]-6-nitroquinazolin-4-amine

Drug info:

PubChemData

Smile

CN1C[C@H]2C(C1)C2CCOC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)N

DOS

IR

Vibrations