Geometry & MOs

Info

ID:	217353
PubChem CID:	85087673
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-116.81
Dipole, Da:	4.12
IP(EA), eV:	-9.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-octa-1,3-dienyl-5-oxopyrrolidin-1-yl)propyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CC1C23CCC(=O)C=C2CCC4C3CCC5(C4CCC5=O)C

DOS

IR

Vibrations