Geometry & MOs

Info

ID:	364881
PubChem CID:	127316353
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-63.99
Dipole, Da:	5.53
IP(EA), eV:	-8.8(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3=C(C4=C(N3)CCCC4=O)C

DOS

IR

Vibrations