Geometry & MOs

Info

ID:	310119
PubChem CID:	126574794
Reduced:	O10C47H70 (1)
Stoich.:	A10B47C70 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-535.35
Dipole, Da:	6.31
IP(EA), eV:	-10.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nonyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCC/C=C/C(CCC(CCCCCCCCC(=O)O)C1C2C3CCC4C(C3CC(C2C(C)C)C5C1C(=O)OC5=O)(CCCC4(C)C(=O)O)C)C6CC(=O)OC6=O

DOS

IR

Vibrations