Geometry & MOs

Info

ID:	443867
PubChem CID:	135260231
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	436.123463
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	3.37
IP(EA), eV:	-9.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-[[4-fluoro-3-[2-(4-methoxyphenyl)acetyl]phenyl]methyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)C(C)(C)CN

DOS

IR

Vibrations