Geometry & MOs

Info

ID:	263850
PubChem CID:	103401394
Reduced:	BrClNOSC16H17 (1)
Stoich.:	ABCDEF16G17 (1)
Weight, g/mol:	287.155515
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	3.47
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methoxyethoxy)propoxy]-1-thiophen-2-ylbutan-2-amine

Drug info:

PubChemData

Smile

CCNC(C1=CC(=CC2=C1OCC2)Br)C3=C(C(=CS3)C)Cl

DOS

IR

Vibrations