Geometry & MOs

Info

ID:	441857
PubChem CID:	135246055
Reduced:	FON7H20C24 (1)
Stoich.:	ABC7D20E24 (1)
Weight, g/mol:	515.244501
ΔH_f, kcal/mol:	128.07
Dipole, Da:	4.2
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)C2=NOC(=N2)CC3=C(N(N=N3)C4=CC=CC=C4F)C5=CC=NC=C5

DOS

IR

Vibrations