Geometry & MOs

Info

ID:	271977
PubChem CID:	103707730
Reduced:	BrClNOSC13H13 (1)
Stoich.:	ABCDEF13G13 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-2.42
Dipole, Da:	2.49
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1H-inden-5-ylmethylamino)-4-methoxybutan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CNCC(C2=CSC=C2)O)Br

DOS

IR

Vibrations