Geometry & MOs

Info

ID:	371680
PubChem CID:	131270400
Reduced:	BrFNO3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-149.14
Dipole, Da:	4.4
IP(EA), eV:	-10.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@](CO)(C(=O)O)N)Br)F

DOS

IR

Vibrations