Geometry & MOs

Info

ID:	308917
PubChem CID:	126531854
Reduced:	ClO2F3N4C28H28 (1)
Stoich.:	AB2C3D4E28F28 (1)
Weight, g/mol:	411.191992
ΔH_f, kcal/mol:	-172.31
Dipole, Da:	5.79
IP(EA), eV:	-9.09(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=C(C=CC2=N1)C3=CN=C(N=C3)C(C)(C)O)NC(C4=C(C=CC(=C4)C(C)(C)O)F)C(F)F)Cl

DOS

IR

Vibrations