Geometry & MOs

Info

ID:	194502
PubChem CID:	78546526
Reduced:	NO3C27H29 (1)
Stoich.:	AB3C27D29 (1)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	5.82
IP(EA), eV:	-8.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-benzylbenzoate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=CC=C2CC3=CC=CC=C3

DOS

IR

Vibrations