Geometry & MOs

Info

ID:	229073
PubChem CID:	87566891
Reduced:	N3O3C6H7 (1)
Stoich.:	A3B3C6D7 (1)
Weight, g/mol:	421.243993
ΔH_f, kcal/mol:	-53.69
Dipole, Da:	5.58
IP(EA), eV:	-10.93(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[[1-(3-oxododecanoyl)piperidin-2-yl]methyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)N1C(=CN=N1)C=O

DOS

IR

Vibrations