Geometry & MOs

Info

ID:	31063
PubChem CID:	854346
Reduced:	FNO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	-161.4
Dipole, Da:	7.83
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(4-methylphenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C([C@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C(=O)OC

DOS

IR

Vibrations