Geometry & MOs

Info

ID:	150129
PubChem CID:	53789815
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	335.119129
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	2.66
IP(EA), eV:	-8.68(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-but-1-ynoxyphenyl)sulfanylmethyl]-N-hydroxyoxane-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCCCC1C2=CC(=CC=C2)NC(=O)O

DOS

IR

Vibrations