Geometry & MOs

Info

ID:	130307
PubChem CID:	51075563
Reduced:	FON4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	285.091355
ΔH_f, kcal/mol:	0.89
Dipole, Da:	3.74
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1C=CC=C2)NCC(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations