Geometry & MOs

Info

ID:	282345
PubChem CID:	103922972
Reduced:	BrClNOC15H15 (1)
Stoich.:	ABCDE15F15 (1)
Weight, g/mol:	301.134779
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	3.88
IP(EA), eV:	-9.36(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]thiophen-2-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CO)NCC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations