Geometry & MOs

Info

ID:	179478
PubChem CID:	76488861
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	392.175437
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	4.55
IP(EA), eV:	-9.51(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(3-chlorophenoxy)butanoyl]cyclopentyl]hept-2-enoic acid

Drug info:

PubChemData

Smile

C=CN(C=C)C(CCC(=O)O)C(=O)O

DOS

IR

Vibrations