Geometry & MOs

Info

ID:	241112
PubChem CID:	96021234
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-59.05
Dipole, Da:	4.38
IP(EA), eV:	-9.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(1R)-8-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)C

DOS

IR

Vibrations