Geometry & MOs

Info

ID:	274428
PubChem CID:	103809298
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	5.44
IP(EA), eV:	-8.88(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethylamino)-1-(3-methoxypiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1CCCN(C1)C(=O)C2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations