Geometry & MOs

Info

ID:	195952
PubChem CID:	78753678
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	398.147786
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	3.35
IP(EA), eV:	-8.63(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 2-[[4-(N-methylanilino)-3-nitrophenyl]methylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

DOS

IR

Vibrations