Geometry & MOs

Info

ID:	22840
PubChem CID:	599060
Reduced:	NO3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	347.246044
ΔH_f, kcal/mol:	-146.03
Dipole, Da:	1.15
IP(EA), eV:	-8.82(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-butoxypropyl)-4-phenylpiperidin-4-yl] propanoate

Drug info:

PubChemData

Smile

CCCCOCCCN1CCC(CC1)(C2=CC=CC=C2)OC(=O)CC

DOS

IR

Vibrations