Geometry & MOs

Info

ID:	401972
PubChem CID:	135053640
Reduced:	OC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	3.74
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxyphenoxy)methyl]-1H-cinnolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC#CC#CC1=CC(=CC=C1)C(=O)OC

DOS

IR

Vibrations