Geometry & MOs

Info

ID:	232258
PubChem CID:	87575822
Reduced:	SN2H6C12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	189.136493
ΔH_f, kcal/mol:	123.8
Dipole, Da:	5.13
IP(EA), eV:	-9.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-N-(1-hydroxypropyl)-N-prop-2-enylpropan-1-amine oxide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C=C(C#N)C#N)SC=C2

DOS

IR

Vibrations