Geometry & MOs

Info

ID:	241672
PubChem CID:	96023965
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-30.22
Dipole, Da:	3.76
IP(EA), eV:	-8.73(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethenyl]phenol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CCC3=CC=C(C=C3)O

DOS

IR

Vibrations