Geometry & MOs

Info

ID:	271021
PubChem CID:	103640355
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	8.33
IP(EA), eV:	-8.49(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-propyl-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations