Geometry & MOs

Info

ID:	30555
PubChem CID:	841488
Reduced:	ClN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	11.27
IP(EA), eV:	-9.34(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-3-(piperidine-1-carbonyl)chromen-2-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations