Geometry & MOs

Info

ID:	446051
PubChem CID:	135272049
Reduced:	NSO4C25H31 (1)
Stoich.:	ABC4D25E31 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-143.36
Dipole, Da:	3.42
IP(EA), eV:	-8.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dioxopyrrol-1-yl)-3,5-dimethylhexanal

Drug info:

PubChemData

Smile

CCOCN(C1=CC(=C2C(=C1C)C(=CS2)C)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations