Geometry & MOs

Info

ID:	406774
PubChem CID:	135078589
Reduced:	ClN7H14C21 (1)
Stoich.:	AB7C14D21 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	199.43
Dipole, Da:	4.73
IP(EA), eV:	-9.32(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-8-(furan-2-yl)-5,5-dimethyl-8-oxoocta-2,6-dienal

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)Cl)C4=CC=C(C=C4)N5C=CC=N5

DOS

IR

Vibrations