Geometry & MOs

Info

ID:	212814
PubChem CID:	81061888
Reduced:	N4O4C11H18 (1)
Stoich.:	A4B4C11D18 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-119.91
Dipole, Da:	9.2
IP(EA), eV:	-9.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[2-ethoxyethyl(methyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)CN1C=C(N=N1)C(=O)O

DOS

IR

Vibrations