Geometry & MOs

Info

ID:	25783
PubChem CID:	630538
Reduced:	N2O5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	369.053463
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	9.81
IP(EA), eV:	-9.31(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2,4-dichlorophenyl)methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxopyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOCCOC1=C(C=C(C2=NC=CC(=C12)C)[N+](=O)[O-])OC

DOS

IR

Vibrations