Geometry & MOs

Info

ID:	367678
PubChem CID:	127325386
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	363.172896
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	5.34
IP(EA), eV:	-8.98(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-3-[3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CC3C4=CC=CC=C4CCO3

DOS

IR

Vibrations