Geometry & MOs

Info

ID:	355673
PubChem CID:	127289638
Reduced:	O2N7C18H31 (1)
Stoich.:	A2B7C18D31 (1)
Weight, g/mol:	393.27399
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	4.73
IP(EA), eV:	-8.8(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCN(CC1)CC(=O)N2CCN(CC2)C)N3C=NC=N3

DOS

IR

Vibrations