Geometry & MOs

Info

ID:	241101
PubChem CID:	93621878
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	240.126263
ΔH_f, kcal/mol:	-150.91
Dipole, Da:	6.36
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)N(CCO2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations