Geometry & MOs

Info

ID:	368926
PubChem CID:	127330934
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-11.52
Dipole, Da:	1.3
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations