Geometry & MOs

Info

ID:	186253
PubChem CID:	77412347
Reduced:	ClFN2O6C16H18 (1)
Stoich.:	ABC2D6E16F18 (1)
Weight, g/mol:	257.045309
ΔH_f, kcal/mol:	-295.33
Dipole, Da:	4.15
IP(EA), eV:	-9.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1C2C(C(C(O2)C(CC3=CC(=CC=C3)Cl)O)O)O)F

DOS

IR

Vibrations