Geometry & MOs

Info

ID:	359802
PubChem CID:	127299846
Reduced:	ON6C22H30 (1)
Stoich.:	AB6C22D30 (1)
Weight, g/mol:	394.24811
ΔH_f, kcal/mol:	5.51
Dipole, Da:	4.79
IP(EA), eV:	-8.92(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCN(CC3)CC(=O)NC4CCCCC4

DOS

IR

Vibrations