Geometry & MOs

Info

ID:	363751
PubChem CID:	127313389
Reduced:	SO2N5C16H25 (1)
Stoich.:	AB2C5D16E25 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-35.79
Dipole, Da:	4.3
IP(EA), eV:	-8.82(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations