Geometry & MOs

Info

ID:	241981
PubChem CID:	96024902
Reduced:	NOSC16H17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	277.18305
ΔH_f, kcal/mol:	-0.03
Dipole, Da:	2.92
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C(=O)C3=CC=CS3

DOS

IR

Vibrations