Geometry & MOs

Info

ID:	356018
PubChem CID:	127291047
Reduced:	ClN2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	366.208947
ΔH_f, kcal/mol:	-123.75
Dipole, Da:	1.05
IP(EA), eV:	-9.06(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(C1)OCCN2C(=O)NCC3(CCOCC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations