Geometry & MOs

Info

ID:	215949
PubChem CID:	85085489
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	202.102751
ΔH_f, kcal/mol:	98.42
Dipole, Da:	2.04
IP(EA), eV:	-9.51(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butylsulfanyl-3-hydroxy-2-methylpent-4-enal

Drug info:

PubChemData

Smile

C#CCC#CCON=C1CN2CCC1C2

DOS

IR

Vibrations