Geometry & MOs

Info

ID:	241687
PubChem CID:	96024010
Reduced:	FNC19H20 (1)
Stoich.:	ABC19D20 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-8.47
Dipole, Da:	0.88
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethenyl]phenol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)/C=C/C3=CC=CC=C3F

DOS

IR

Vibrations