Geometry & MOs

Info

ID:	26361
PubChem CID:	645390
Reduced:	NO5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	354.101585
ΔH_f, kcal/mol:	-107.23
Dipole, Da:	5.12
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxo-2-(2-oxopyridin-1-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)OC)OC

DOS

IR

Vibrations