Geometry & MOs

Info

ID:	146012
PubChem CID:	53624157
Reduced:	O2N5C15H23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	2.41
IP(EA), eV:	-9.15(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxybutyl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2CCOC(C2)CN3C=NC=N3

DOS

IR

Vibrations