Geometry & MOs

Info

ID:	220357
PubChem CID:	85177330
Reduced:	NH17C18 (1)
Stoich.:	AB17C18 (1)
Weight, g/mol:	252.09102
ΔH_f, kcal/mol:	70.49
Dipole, Da:	1.17
IP(EA), eV:	-7.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)-6-oxo-1,3-diazinan-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC=C1C=C(C2=CC=CC=C2N1C)C3=CC=CC=C3

DOS

IR

Vibrations