Geometry & MOs

Info

ID:	367553
PubChem CID:	127324921
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	5.29
IP(EA), eV:	-8.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CC3=C(N=C4C=CNN4C3=O)C

DOS

IR

Vibrations