Geometry & MOs

Info

ID:	330691
PubChem CID:	127248098
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	9.56
Dipole, Da:	3.54
IP(EA), eV:	-9.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCCN2C)C(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations