Geometry & MOs

Info

ID:	64981
PubChem CID:	29204290
Reduced:	Cl3N3O4C15H16 (1)
Stoich.:	A3B3C4D15E16 (1)
Weight, g/mol:	407.020639
ΔH_f, kcal/mol:	-96.28
Dipole, Da:	3.28
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R,3R)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]-N'-(2,4,6-trichlorophenyl)acetohydrazide

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations