Geometry & MOs

Info

ID:	363877
PubChem CID:	127313534
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-41.17
Dipole, Da:	2.56
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C=C(C=N2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations