Geometry & MOs

Info

ID:	241689
PubChem CID:	96024013
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	2.09
IP(EA), eV:	-8.65(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-hydroxybenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)/C=C/C3=CC=CC=C3O

DOS

IR

Vibrations