Geometry & MOs

Info

ID:	225418
PubChem CID:	85756826
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	7.04
Dipole, Da:	4.18
IP(EA), eV:	-9.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-oxochromen-7-yl)oxypentanenitrile

Drug info:

PubChemData

Smile

C=CCC(CCCC1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations