Geometry & MOs

Info

ID:	356883
PubChem CID:	127292487
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-62.39
Dipole, Da:	2.42
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methylphenyl)acetyl]-N-(1-prop-2-enylpiperidin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C=CCN1CCC(CC1)NC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations