Geometry & MOs

Info

ID:	367664
PubChem CID:	127325193
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	394.149718
ΔH_f, kcal/mol:	-67.34
Dipole, Da:	4.95
IP(EA), eV:	-9.26(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1C(=O)N2CCOCC2(C)C)C

DOS

IR

Vibrations