Geometry & MOs

Info

ID:	337873
PubChem CID:	127258496
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	310.121652
ΔH_f, kcal/mol:	-182.44
Dipole, Da:	7.51
IP(EA), eV:	-10.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(4-fluorophenyl)-5-methyl-3-oxoheptanedioic acid

Drug info:

PubChemData

Smile

CCC(C(=O)C(C1=CC=C(C=C1)C#N)C(C)CC(=O)O)C(=O)O

DOS

IR

Vibrations