Geometry & MOs

Info

ID:	363482
PubChem CID:	127311285
Reduced:	O2N3C21H35 (1)
Stoich.:	A2B3C21D35 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	2.49
IP(EA), eV:	-8.88(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(4-phenylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3CCCCC3C(=O)N4CCCC4

DOS

IR

Vibrations