Geometry & MOs

Info

ID:	363755
PubChem CID:	127313393
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	-108.09
Dipole, Da:	5.44
IP(EA), eV:	-8.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3CCOC4=CC=CC=C34

DOS

IR

Vibrations