Geometry & MOs

Info

ID:	307876
PubChem CID:	125310358
Reduced:	N2O3C5H8 (1)
Stoich.:	A2B3C5D8 (1)
Weight, g/mol:	369.133614
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	7.04
IP(EA), eV:	-10.14(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(2-fluoro-4-nitrophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](C(=O)NCN1)C(=O)O

DOS

IR

Vibrations