Geometry & MOs

Info

ID:	441859
PubChem CID:	135246114
Reduced:	FO3N7H26C28 (1)
Stoich.:	AB3C7D26E28 (1)
Weight, g/mol:	471.218287
ΔH_f, kcal/mol:	68.8
Dipole, Da:	10.59
IP(EA), eV:	-9.43(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(N-amino-2-fluoroanilino)-2-pyridin-4-yl-1-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethenamine

Drug info:

PubChemData

Smile

C/C=C(\C=C/N=C)/C1=C(N=NN1C2=CC=CC=C2F)C3=NC(=NO3)CC4=CC=C(C=C4)CN5CC(C5)C(=O)O

DOS

IR

Vibrations