Geometry & MOs

Info

ID:	199516
PubChem CID:	79258870
Reduced:	NO3F6C9H13 (1)
Stoich.:	AB3C6D9E13 (1)
Weight, g/mol:	297.130026
ΔH_f, kcal/mol:	-456.6
Dipole, Da:	4.83
IP(EA), eV:	-9.76(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C(CN(CC(=O)O)CC(F)(F)F)COCC(F)(F)F

DOS

IR

Vibrations