Geometry & MOs

Info

ID:	338777
PubChem CID:	127259788
Reduced:	BrO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	2.78
IP(EA), eV:	-9.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[cyclobutyl(hydroxy)methyl]piperidin-4-yl] 2-phenylacetate

Drug info:

PubChemData

Smile

CCC(OC(=O)CC1=CC=CC=C1)Br

DOS

IR

Vibrations