Geometry & MOs

Info

ID:	411277
PubChem CID:	135084090
Reduced:	N3O15C26H39 (1)
Stoich.:	A3B15C26D39 (1)
Weight, g/mol:	194.069142
ΔH_f, kcal/mol:	-702.12
Dipole, Da:	8.89
IP(EA), eV:	-9.78(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethoxyethenyl)-2-nitropyridine

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1OC(=O)C)O[C@H]2C(C([C@@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)COC(=O)C)N

DOS

IR

Vibrations