Geometry & MOs

Info

ID:	351807
PubChem CID:	127282207
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	7.52
IP(EA), eV:	-8.79(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations