Geometry & MOs

Info

ID:	328812
PubChem CID:	126728017
Reduced:	N4H32C45 (1)
Stoich.:	A4B32C45 (1)
Weight, g/mol:	287.061614
ΔH_f, kcal/mol:	233.18
Dipole, Da:	0.8
IP(EA), eV:	-8.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5E)-5-(2,2-dimethyl-1,3-dihydropyridin-4-ylidene)thiophen-2-ylidene]cyclobutane-1,2,3-trione

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC=CC=C4C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations