Geometry & MOs

Info

ID:	212941
PubChem CID:	81062364
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-78.78
Dipole, Da:	5.54
IP(EA), eV:	-9.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC=CC(=C1C)C#CCO

DOS

IR

Vibrations