Geometry & MOs

Info

ID:	352345
PubChem CID:	127283429
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-25.43
Dipole, Da:	2.83
IP(EA), eV:	-8.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butyl-1,3-thiazol-5-yl)-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CN3C=CC4=C3C=C(C=C4)Cl)C

DOS

IR

Vibrations