Geometry & MOs

Info

ID:	213046
PubChem CID:	81062631
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-31.46
Dipole, Da:	5.54
IP(EA), eV:	-9.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-3-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=NNC(=N1)C2CC2

DOS

IR

Vibrations