Geometry & MOs

Info

ID:	448064
PubChem CID:	135288128
Reduced:	N2F3O4C26H33 (1)
Stoich.:	A2B3C4D26E33 (1)
Weight, g/mol:	489.202556
ΔH_f, kcal/mol:	-222.06
Dipole, Da:	5.35
IP(EA), eV:	-8.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[5-[(3Z)-3-(4-pyridin-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCC1(CC(OC1=O)CCN2CCN(CC2)C3=CC=CC4=CC=CC=C43)CC.C(C(=O)OF)(F)F

DOS

IR

Vibrations