Geometry & MOs

Info

ID:	241129
PubChem CID:	96021406
Reduced:	NC20H27 (1)
Stoich.:	AB20C27 (1)
Weight, g/mol:	283.112777
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	1.84
IP(EA), eV:	-8.88(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(E)-2-(3-chlorophenyl)ethenyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations