Geometry & MOs

Info

ID:	368923
PubChem CID:	127330931
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	1.66
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-oxo-2-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C(C)(C)C

DOS

IR

Vibrations