Geometry & MOs

Info

ID:	144806
PubChem CID:	53415722
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	256.048407
ΔH_f, kcal/mol:	-30.94
Dipole, Da:	4.33
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-2-pyridin-4-ylethane-1,2-dione

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C(=O)CCC3=CC=CS3

DOS

IR

Vibrations