Geometry & MOs

Info

ID:	241686
PubChem CID:	96024008
Reduced:	FNC19H20 (1)
Stoich.:	ABC19D20 (1)
Weight, g/mol:	281.157978
ΔH_f, kcal/mol:	-6.43
Dipole, Da:	1.19
IP(EA), eV:	-8.89(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(E)-2-(2-fluorophenyl)ethenyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2/C=C/C3=CC=CC=C3F)C=C1)C

DOS

IR

Vibrations