Geometry & MOs

Info

ID:	344654
PubChem CID:	127268242
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	27.95
Dipole, Da:	5.65
IP(EA), eV:	-8.91(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpiperidin-4-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=NN=C(N3C4CC4)C

DOS

IR

Vibrations