Geometry & MOs

Info

ID:	241896
PubChem CID:	96024521
Reduced:	N3C19H21 (1)
Stoich.:	A3B19C21 (1)
Weight, g/mol:	248.13472
ΔH_f, kcal/mol:	63.76
Dipole, Da:	2.25
IP(EA), eV:	-8.37(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-1,3-thiazolidine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=NN(C4=CC=CC=C43)C

DOS

IR

Vibrations