Geometry & MOs

Info

ID:	261955
PubChem CID:	103261803
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	229.092578
ΔH_f, kcal/mol:	-107.34
Dipole, Da:	5.98
IP(EA), eV:	-9.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-(4,4,4-trifluorobutylamino)butanoic acid

Drug info:

PubChemData

Smile

CC1C(CCO1)NCC2=CC(=NO2)C(=O)O

DOS

IR

Vibrations