Geometry & MOs

Info

ID:	241166
PubChem CID:	96021640
Reduced:	FNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	269.157978
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	3.5
IP(EA), eV:	-9.03(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-fluorophenyl)ethyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@@H](NCCC2=CC=C1)CC3=C(C=CC(=C3)F)C

DOS

IR

Vibrations