Geometry & MOs

Info

ID:	77550
PubChem CID:	49655376
Reduced:	ClO2N7H18C20 (1)
Stoich.:	AB2C7D18E20 (1)
Weight, g/mol:	351.133139
ΔH_f, kcal/mol:	44.35
Dipole, Da:	4.73
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-3-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=CC=CC(=C2)NC(=O)C(=O)NCCC3=CNC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations