Geometry & MOs

Info

ID:	238981
PubChem CID:	93165810
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-79.99
Dipole, Da:	4.17
IP(EA), eV:	-9.26(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)[C@H]1C2=CC=CC=C2CCN1S(=O)(=O)C

DOS

IR

Vibrations