Geometry & MOs

Info

ID:	226583
PubChem CID:	87544237
Reduced:	N2O6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	484.142148
ΔH_f, kcal/mol:	-78.4
Dipole, Da:	5.18
IP(EA), eV:	-11.07(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2,5-dimethyl-4-[4-(2,3,4,5,6-pentafluorophenoxy)carbonyl-2-[(Z)-prop-1-enyl]phenyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations