Geometry & MOs

Info

ID:	241723
PubChem CID:	96024104
Reduced:	NOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	293.177964
ΔH_f, kcal/mol:	0.4
Dipole, Da:	2.8
IP(EA), eV:	-8.69(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(E)-2-(3-methoxyphenyl)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=C3)OC)C=C1)C

DOS

IR

Vibrations