Geometry & MOs

Info

ID:	359325
PubChem CID:	127298372
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-94.56
Dipole, Da:	4.55
IP(EA), eV:	-8.85(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-tert-butyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(O2)C(=O)N3CCC(CC3)CC(=O)N4CCN(CC4)C

DOS

IR

Vibrations