Geometry & MOs

Info

ID:	24179
PubChem CID:	608291
Reduced:	NOC22H33 (1)
Stoich.:	ABC22D33 (1)
Weight, g/mol:	327.256215
ΔH_f, kcal/mol:	-70.33
Dipole, Da:	6.34
IP(EA), eV:	-8.58(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-undecyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)CC

DOS

IR

Vibrations