Geometry & MOs

Info

ID:	368927
PubChem CID:	127330935
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	4.45
IP(EA), eV:	-8.5(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-cyclobutylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)N3CCC(CC3)N4CCCCC4

DOS

IR

Vibrations