Geometry & MOs

Info

ID:	217078
PubChem CID:	85087212
Reduced:	OC3H3 (6)
Stoich.:	AB3C3 (6)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-203.82
Dipole, Da:	4.97
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2CC(=O)C3=C(C=C(C=C3O2)OC)O

DOS

IR

Vibrations