Geometry & MOs

Info

ID:	309657
PubChem CID:	126552360
Reduced:	OC14H17 (2)
Stoich.:	AB14C17 (2)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	-50.12
Dipole, Da:	2.49
IP(EA), eV:	-8.61(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dioxopyrrol-1-yl)-2-methylbutanal

Drug info:

PubChemData

Smile

CCCCC(OC1=CC=C(C=C1)C(C)CC)OC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations