Geometry & MOs

Info

ID:	293737
PubChem CID:	117398251
Reduced:	ClNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	257.00514
ΔH_f, kcal/mol:	-14.8
Dipole, Da:	3.55
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(aminooxymethyl)-4-bromo-2,3-dihydro-1H-inden-5-ol

Drug info:

PubChemData

Smile

CC(C)SC1=C(C=C(C=C1)CCCCN)Cl

DOS

IR

Vibrations