Geometry & MOs

Info

ID:	41944
PubChem CID:	8147886
Reduced:	N2O5H16C17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	318.067428
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	6.77
IP(EA), eV:	-8.98(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyridine-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations