Geometry & MOs

Info

ID:	149387
PubChem CID:	53789059
Reduced:	NO4C16H20 (2)
Stoich.:	AB4C16D20 (2)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-265.55
Dipole, Da:	2.26
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-4-piperidin-1-ylbenzaldehyde

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC=CCNC[C@@H](COC2=CC=CC=C2)O)C3C(C(=NC(=C3C(=O)OC)C)C)C(=O)OC

DOS

IR

Vibrations