Geometry & MOs

Info

ID:	271613
PubChem CID:	103685867
Reduced:	NOSC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	43.28
Dipole, Da:	1.79
IP(EA), eV:	-8.88(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-prop-2-ynylsulfanylethylamino)methyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1CNCCSCC#C

DOS

IR

Vibrations