Geometry & MOs

Info

ID:	225162
PubChem CID:	85747758
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-117.6
Dipole, Da:	4.47
IP(EA), eV:	-9.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-[3-(methoxymethyl)quinolin-2-yl]hept-2-en-1-one

Drug info:

PubChemData

Smile

CCC(C=CC(=O)C1=NC2=CC=CC=C2C=C1COC)(OCC)OCC

DOS

IR

Vibrations