Geometry & MOs

Info

ID:	21258
PubChem CID:	587796
Reduced:	ClNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-97.09
Dipole, Da:	1.14
IP(EA), eV:	-8.7(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCC1CCC(N(C1)CCOC(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations