Geometry & MOs

Info

ID:	656
PubChem CID:	3150
Reduced:	NO6C15H21 (1)
Stoich.:	AB6C15D21 (1)
Weight, g/mol:	311.136887
ΔH_f, kcal/mol:	-255.6
Dipole, Da:	1.9
IP(EA), eV:	-9.93(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-carboxyhepta-2,4-dien-2-yl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations