Geometry & MOs

Info

ID:	169374
PubChem CID:	75094971
Reduced:	NO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-136.04
Dipole, Da:	5.64
IP(EA), eV:	-9.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-acetylphenyl)ethyl]-N-prop-2-ynylpropanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC=CC(=O)OC

DOS

IR

Vibrations