Geometry & MOs

Info

ID:	132898
PubChem CID:	51443153
Reduced:	FNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	311.069964
ΔH_f, kcal/mol:	-205.14
Dipole, Da:	4.04
IP(EA), eV:	-9.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-anilino-6-[(4-chlorophenyl)methyl]-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

C[C@]1(C[C@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)F)C(=O)[O-])C(=O)OC

DOS

IR

Vibrations