Geometry & MOs

Info

ID:	363738
PubChem CID:	127313374
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-95.84
Dipole, Da:	7.18
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations