Geometry & MOs

Info

ID:	383380
PubChem CID:	134975072
Reduced:	SH7C10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	104.82
Dipole, Da:	0.43
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5,5-dimethyl-6-oxohept-2-enal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CSC(=C3)C4=CSC=C4

DOS

IR

Vibrations