Geometry & MOs

Info

ID:	205816
PubChem CID:	80162075
Reduced:	FON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	269.09644
ΔH_f, kcal/mol:	-13.69
Dipole, Da:	5.23
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-3-fluorophenyl)methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=O)N2CC3=CC(=C(C=C3)N)F

DOS

IR

Vibrations