Geometry & MOs

Info

ID:	371073
PubChem CID:	127342301
Reduced:	O3N5C16H27 (1)
Stoich.:	A3B5C16D27 (1)
Weight, g/mol:	378.183795
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	2.76
IP(EA), eV:	-9.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)NC(C)CC3CCCO3

DOS

IR

Vibrations