Geometry & MOs

Info

ID:	241831
PubChem CID:	96024363
Reduced:	FNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	271.137242
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	5.87
IP(EA), eV:	-8.93(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(C=C(C=C3)F)O

DOS

IR

Vibrations