Geometry & MOs

Info

ID:	363854
PubChem CID:	127313511
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-66.28
Dipole, Da:	3.74
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations