Geometry & MOs

Info

ID:	340449
PubChem CID:	127262460
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	256.084792
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	5.31
IP(EA), eV:	-8.2(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3E)-6-oxo-3-[(pyridin-3-ylamino)methylidene]cyclohexa-1,4-diene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=N/NC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations