Geometry & MOs

Info

ID:	367094
PubChem CID:	127323147
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	372.227374
ΔH_f, kcal/mol:	-109.39
Dipole, Da:	4.18
IP(EA), eV:	-8.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(4-cyclobutylpiperazin-1-yl)acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCN(CC2)C3CCC3)N

DOS

IR

Vibrations