Geometry & MOs

Info

ID:	82932
PubChem CID:	49856837
Reduced:	ClSN2O2C17H29 (1)
Stoich.:	ABC2D2E17F29 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-40.59
Dipole, Da:	37.54
IP(EA), eV:	-5.7(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(C)NC(=O)[C@H](CC[S+](C)C)N.[Cl-]

DOS

IR

Vibrations