Geometry & MOs

Info

ID:	165410
PubChem CID:	74546873
Reduced:	SO3N7C18H29 (1)
Stoich.:	AB3C7D18E29 (1)
Weight, g/mol:	264.066068
ΔH_f, kcal/mol:	-101.93
Dipole, Da:	4.96
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(6-oxocyclohexa-2,4-dien-1-ylidene)-4aH-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=NN=CN3C)N

DOS

IR

Vibrations