Geometry & MOs

Info

ID:	241113
PubChem CID:	96021245
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-52.55
Dipole, Da:	3.7
IP(EA), eV:	-9.11(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-propan-2-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)[C@H]3CC(=O)N(C3)C(C)C

DOS

IR

Vibrations