Geometry & MOs

Info

ID:	365993
PubChem CID:	127319288
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	327.180758
ΔH_f, kcal/mol:	89.14
Dipole, Da:	8.68
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C3=NC(=NO3)CN4C=CC=N4

DOS

IR

Vibrations