Geometry & MOs

Info

ID:	241107
PubChem CID:	96021187
Reduced:	ClNC18H18 (1)
Stoich.:	ABC18D18 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	37.45
Dipole, Da:	3.06
IP(EA), eV:	-9.14(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(E)-2-(4-methoxyphenyl)ethenyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@@H](NCCC2=CC=C1)/C=C\C3=CC=C(C=C3)Cl

DOS

IR

Vibrations