Geometry & MOs

Info

ID:	241150
PubChem CID:	96021530
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	267.142328
ΔH_f, kcal/mol:	-46.1
Dipole, Da:	3.31
IP(EA), eV:	-8.98(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)[C@@H]3CCCN3C(=O)C

DOS

IR

Vibrations