Geometry & MOs

Info

ID:	373521
PubChem CID:	131316447
Reduced:	SO2H5N5C7 (1)
Stoich.:	AB2C5D5E7 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	47.6
Dipole, Da:	4.18
IP(EA), eV:	-10.29(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2,4,4-trimethylhex-2-enal

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C2=CN=C(N=N2)C(=O)O

DOS

IR

Vibrations