Geometry & MOs

Info

ID:	352567
PubChem CID:	127283655
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-68.04
Dipole, Da:	6.39
IP(EA), eV:	-8.93(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CSCC1C(=O)N2CCN(CC2)CC3=CC=NC=C3

DOS

IR

Vibrations