Geometry & MOs

Info

ID:	213876
PubChem CID:	81065507
Reduced:	NO2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	255.108228
ΔH_f, kcal/mol:	-224.5
Dipole, Da:	6.4
IP(EA), eV:	-9.87(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,4,4-trifluorobutanoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCNC(=O)C(C)(C)C

DOS

IR

Vibrations