Geometry & MOs

Info

ID:	449642
PubChem CID:	135300236
Reduced:	NOSC21H31 (1)
Stoich.:	ABCD21E31 (1)
Weight, g/mol:	203.098
ΔH_f, kcal/mol:	-32.51
Dipole, Da:	4.45
IP(EA), eV:	-7.86(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[1-[2-hydroxyethyl(methyl)amino]ethylsulfanyl]but-2-enal

Drug info:

PubChemData

Smile

CCCCN(CCCC)C1=CC(=C(C=C1)CCC2=CC=CS2)OC

DOS

IR

Vibrations