Geometry & MOs

Info

ID:	444644
PubChem CID:	135263119
Reduced:	SN3O4C11H15 (1)
Stoich.:	AB3C4D11E15 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-124.81
Dipole, Da:	3.96
IP(EA), eV:	-9.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-(4-methylpiperidin-1-yl)benzaldehyde

Drug info:

PubChemData

Smile

COC(=O)CC1=NC=C(C=N1)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations