Geometry & MOs

Info

ID:	304607
PubChem CID:	124756494
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	34.04
Dipole, Da:	7.69
IP(EA), eV:	-8.8(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)CN3CCC[C@@H](C3)C4=NN=C(N4C)CO

DOS

IR

Vibrations