Geometry & MOs

Info

ID:	30752
PubChem CID:	841798
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	321.076786
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	2.14
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC2=CC=CC=C2C(=C1)C(=O)OC

DOS

IR

Vibrations