Geometry & MOs

Info

ID:	394854
PubChem CID:	135023979
Reduced:	NC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	291.134482
ΔH_f, kcal/mol:	47.84
Dipole, Da:	4.02
IP(EA), eV:	-8.18(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl (E,4Z)-4-[(pyridin-1-ium-2-ylamino)methylidene]pent-2-enedioate

Drug info:

PubChemData

Smile

C[C@@]1(C2=CC=CC=C2N=C1N3CCCCC3)C=C

DOS

IR

Vibrations