Geometry & MOs

Info

ID:	270573
PubChem CID:	103637155
Reduced:	BrNOSC14H16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	291.092915
ΔH_f, kcal/mol:	-4.24
Dipole, Da:	4.43
IP(EA), eV:	-8.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2=C(C(=CC=C2)Br)O

DOS

IR

Vibrations