Geometry & MOs

Info

ID:	296778
PubChem CID:	117592340
Reduced:	N3O13C42H51 (1)
Stoich.:	A3B13C42D51 (1)
Weight, g/mol:	431.173273
ΔH_f, kcal/mol:	-532.6
Dipole, Da:	16.39
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione;8-methoxy-4-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C.CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

DOS

IR

Vibrations