Geometry & MOs

Info

ID:	124172
PubChem CID:	50873914
Reduced:	N2O5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	278.090272
ΔH_f, kcal/mol:	-124.26
Dipole, Da:	8.5
IP(EA), eV:	-9.6(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=O)N(C1)C2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations