Geometry & MOs

Info

ID:	320618
PubChem CID:	126662086
Reduced:	NC25H41 (1)
Stoich.:	AB25C41 (1)
Weight, g/mol:	507.357326
ΔH_f, kcal/mol:	-13.07
Dipole, Da:	0.91
IP(EA), eV:	-8.31(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[[4-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexen-1-yl]phenoxy]methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C/C=C(/CCC1CCN(CC1)C(C)(C)C)\C=C/CC2=CCC(CC2)C=C

DOS

IR

Vibrations