Geometry & MOs

Info

ID:	169649
PubChem CID:	75131732
Reduced:	ON3C11H17 (2)
Stoich.:	AB3C11D17 (2)
Weight, g/mol:	440.289974
ΔH_f, kcal/mol:	-33.74
Dipole, Da:	2.44
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(C(CC1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CNCCNC(=O)C

DOS

IR

Vibrations