Geometry & MOs

Info

ID:	252055
PubChem CID:	103108785
Reduced:	ClO2N3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	-77.31
Dipole, Da:	2.7
IP(EA), eV:	-10.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(but-3-yn-2-ylamino)-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCCCCCCN1C(=C(N=N1)C(=O)OCC)CCl

DOS

IR

Vibrations