Geometry & MOs

Info

ID:	241163
PubChem CID:	96021619
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	285.116507
ΔH_f, kcal/mol:	-113.24
Dipole, Da:	5.38
IP(EA), eV:	-9.18(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations