Geometry & MOs

Info

ID:	241688
PubChem CID:	96024011
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-1.06
Dipole, Da:	3.08
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethenyl]phenol

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2/C=C/C3=CC=CC=C3O)C=C1)C

DOS

IR

Vibrations