Geometry & MOs

Info

ID:	261419
PubChem CID:	103232542
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	275.076928
ΔH_f, kcal/mol:	-112.38
Dipole, Da:	4.55
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,3,4-trifluoroanilino)methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)NCC(=O)N2CCC(CC2)C(=O)O

DOS

IR

Vibrations