Geometry & MOs

Info

ID:	266775
PubChem CID:	103579371
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	4.52
IP(EA), eV:	-9.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NC(CC)C#C

DOS

IR

Vibrations