Geometry & MOs

Info

ID:	171674
PubChem CID:	75412922
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	2.13
IP(EA), eV:	-8.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)OCC2=CC=CC=N2

DOS

IR

Vibrations