Geometry & MOs

Info

ID:	308862
PubChem CID:	126531663
Reduced:	ClFON5H21C23 (1)
Stoich.:	ABCD5E21F23 (1)
Weight, g/mol:	492.182235
ΔH_f, kcal/mol:	7.36
Dipole, Da:	4.87
IP(EA), eV:	-8.8(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC2=C(C=NC3=CC(=C(N=C32)C4=CN=C(N=C4)C(C)(C)O)F)Cl

DOS

IR

Vibrations