Geometry & MOs

Info

ID:	241986
PubChem CID:	96024954
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-18.52
Dipole, Da:	1.43
IP(EA), eV:	-8.69(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CCCOC3=CC=CC=C3)C=C1)C

DOS

IR

Vibrations