Geometry & MOs

Info

ID:	11781
PubChem CID:	120929
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	1.05
IP(EA), eV:	-8.81(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylphenyl) 2-piperidin-1-ylbutanoate

Drug info:

PubChemData

Smile

CCC(C(=O)OC1=C(C=CC=C1C)C)N2CCCCC2

DOS

IR

Vibrations