Geometry & MOs

Info

ID:	345220
PubChem CID:	127268980
Reduced:	O2N7C14H21 (1)
Stoich.:	A2B7C14D21 (1)
Weight, g/mol:	396.202222
ΔH_f, kcal/mol:	17.08
Dipole, Da:	1.92
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations