Geometry & MOs

Info

ID:	340486
PubChem CID:	127262497
Reduced:	N2O5C11H12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-97.97
Dipole, Da:	6.9
IP(EA), eV:	-9.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-oxopentan-2-yl) 2-(aziridin-1-yl)acetate

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)OCC2=CC(=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations