Geometry & MOs

Info

ID:	241927
PubChem CID:	96024667
Reduced:	FNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	269.157978
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	3.44
IP(EA), eV:	-8.78(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-fluoro-4-methylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H]2C3=C(CCN2)C=CC(=C3C)C)F

DOS

IR

Vibrations