Geometry & MOs

Info

ID:	352886
PubChem CID:	127283976
Reduced:	SO3N5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-111.42
Dipole, Da:	5.88
IP(EA), eV:	-8.9(-0.29)
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-pyridin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)NCC(=O)N2CCCC2C(=O)NC)NC

DOS

IR

Vibrations