Geometry & MOs

Info

ID:	145263
PubChem CID:	53489748
Reduced:	ClO2N7H22C23 (1)
Stoich.:	AB2C7D22E23 (1)
Weight, g/mol:	434.186652
ΔH_f, kcal/mol:	75.32
Dipole, Da:	8.21
IP(EA), eV:	-8.24(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C2=C(N=CC=C2)N3C=C(N=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations