Geometry & MOs

Info

ID:	154364
PubChem CID:	56313781
Reduced:	NO2F3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	431.06447
ΔH_f, kcal/mol:	-193.33
Dipole, Da:	3.86
IP(EA), eV:	-9.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C)(C)C1=CC=CC=C1F)OC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations