Geometry & MOs

Info

ID:	356555
PubChem CID:	127291777
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	351.215806
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	2.25
IP(EA), eV:	-9.21(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)[C@H]3CCC(=O)N3)C

DOS

IR

Vibrations