Geometry & MOs

Info

ID:	22824
PubChem CID:	598949
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	2.9
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-1-methyl-4-phenylpiperidin-4-yl) benzoate

Drug info:

PubChemData

Smile

CCC1CN(CCC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations