Geometry & MOs

Info

ID:	242054
PubChem CID:	96025262
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	299.132157
ΔH_f, kcal/mol:	-65.29
Dipole, Da:	4.55
IP(EA), eV:	-8.55(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations