Geometry & MOs

Info

ID:	241684
PubChem CID:	96024005
Reduced:	NC20H23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	277.18305
ΔH_f, kcal/mol:	30.79
Dipole, Da:	2.31
IP(EA), eV:	-8.82(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-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)/C

DOS

IR

Vibrations