Geometry & MOs

Info

ID:	209110
PubChem CID:	80626035
Reduced:	ClOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	275.170771
ΔH_f, kcal/mol:	27.3
Dipole, Da:	2.78
IP(EA), eV:	-9.37(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC(=C1)C)C(=O)C2=NN=C(S2)Cl

DOS

IR

Vibrations