Geometry & MOs

Info

ID:	448084
PubChem CID:	135288347
Reduced:	FON7H24C29 (1)
Stoich.:	ABC7D24E29 (1)
Weight, g/mol:	422.123972
ΔH_f, kcal/mol:	127.9
Dipole, Da:	12.96
IP(EA), eV:	-8.69(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(1,3-benzodioxol-5-yl)-2-[5-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C=CN=C(C6=N5)C7=CC(=CC=C7)F

DOS

IR

Vibrations