Geometry & MOs

Info

ID:	241111
PubChem CID:	96021225
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-20.63
Dipole, Da:	1.24
IP(EA), eV:	-8.5(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-tert-butyl-4-[(1S)-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC[C@H]2C3=C(CCN2)C=C(C=C3)C

DOS

IR

Vibrations