Geometry & MOs

Info

ID:	362529
PubChem CID:	127308103
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	-42.15
Dipole, Da:	8.91
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)CCC(=O)NC3=C(C=CS3)C#N

DOS

IR

Vibrations