Geometry & MOs

Info

ID:	356884
PubChem CID:	127292488
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	-68.91
Dipole, Da:	4.71
IP(EA), eV:	-9.03(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylamino)-2-oxoethyl]-N-(1-prop-2-enylpiperidin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(=O)NC3CCN(CC3)CC=C

DOS

IR

Vibrations