Geometry & MOs

Info

ID:	241721
PubChem CID:	96024097
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	293.177964
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	5.33
IP(EA), eV:	-8.92(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(E)-2-(3-methoxyphenyl)ethenyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations