Geometry & MOs

Info

ID:	371173
PubChem CID:	127343993
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-119.31
Dipole, Da:	4.15
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzoxazol-2-yl)-N-(2-cyclohexyloxyethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC2=C(C=C1)OCCO2)NC(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations