Geometry & MOs

Info

ID:	444169
PubChem CID:	135261563
Reduced:	FON6H15C24 (1)
Stoich.:	ABC6D15E24 (1)
Weight, g/mol:	491.186987
ΔH_f, kcal/mol:	126.24
Dipole, Da:	6.59
IP(EA), eV:	-8.64(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)O)/C=C32)F

DOS

IR

Vibrations