Geometry & MOs

Info

ID:	285215
PubChem CID:	104098683
Reduced:	NO2C13H29 (1)
Stoich.:	AB2C13D29 (1)
Weight, g/mol:	309.00343
ΔH_f, kcal/mol:	-143.76
Dipole, Da:	2.67
IP(EA), eV:	-9.36(2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]-2-methylpropane-1,3-diol

Drug info:

PubChemData

Smile

CCCCC(CC)CCNC(C)(CO)CO

DOS

IR

Vibrations