Geometry & MOs

Info

ID:	360631
PubChem CID:	127301276
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-86.56
Dipole, Da:	5.58
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations