Geometry & MOs

Info

ID:	351360
PubChem CID:	127280248
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	24.85
Dipole, Da:	4.55
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations