Geometry & MOs

Info

ID:	351793
PubChem CID:	127282193
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	391.221954
ΔH_f, kcal/mol:	-51.01
Dipole, Da:	3.16
IP(EA), eV:	-9.19(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations