Geometry & MOs

Info

ID:	71020
PubChem CID:	48414187
Reduced:	ClON5H12C13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	312.133474
ΔH_f, kcal/mol:	40.92
Dipole, Da:	2.5
IP(EA), eV:	-9.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N=C3N2C=CC=C3)Cl

DOS

IR

Vibrations