Geometry & MOs

Info

ID:	166952
PubChem CID:	74758100
Reduced:	ClN3O8H14C18 (1)
Stoich.:	AB3C8D14E18 (1)
Weight, g/mol:	338.066949
ΔH_f, kcal/mol:	-115.16
Dipole, Da:	8.11
IP(EA), eV:	-9.27(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-pyrrolidin-1-ylethyl) 3-(4-chloro-3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations