Geometry & MOs

Info

ID:	203248
PubChem CID:	79799247
Reduced:	N2F3O5C8H11 (1)
Stoich.:	A2B3C5D8E11 (1)
Weight, g/mol:	243.121906
ΔH_f, kcal/mol:	-373.92
Dipole, Da:	7.32
IP(EA), eV:	-10.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NC(=O)NCC(=O)OC

DOS

IR

Vibrations