Geometry & MOs

Info

ID:	210031
PubChem CID:	80753229
Reduced:	FNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	301.032126
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	5.02
IP(EA), eV:	-8.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoro-5-nitrophenyl)sulfanylquinazoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC(=CC(=C2)N)F

DOS

IR

Vibrations