Geometry & MOs

Info

ID:	352353
PubChem CID:	127283437
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	6.94
IP(EA), eV:	-8.89(-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]-3-(oxolan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CC=CC=C3N(C)C(=O)C4CC4)C

DOS

IR

Vibrations