Geometry & MOs

Info

ID:	363512
PubChem CID:	127311591
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	4.39
IP(EA), eV:	-8.66(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-1,3-benzoxazol-2-yl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NC4CCCC5=C4C=CO5

DOS

IR

Vibrations