Geometry & MOs

Info

ID:	330698
PubChem CID:	127248105
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-70.15
Dipole, Da:	6.94
IP(EA), eV:	-9.17(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[3-(4-ethylpiperazine-1-carbonyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)CC2=NC=CN=C2C(=O)NC3CCCC3

DOS

IR

Vibrations