Geometry & MOs

Info

ID:	395693
PubChem CID:	135026272
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-69.83
Dipole, Da:	3.25
IP(EA), eV:	-8.41(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NCCCCN1CCN(CC1)C2=CC=CC=C2OC

DOS

IR

Vibrations