Geometry & MOs

Info

ID:	241683
PubChem CID:	96024001
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	277.18305
ΔH_f, kcal/mol:	-6.41
Dipole, Da:	3.85
IP(EA), eV:	-8.89(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-[(E)-1-phenylprop-1-en-2-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations