Geometry & MOs

Info

ID:	448182
PubChem CID:	135289080
Reduced:	ClO2N4H12C15 (2)
Stoich.:	AB2C4D12E15 (2)
Weight, g/mol:	424.201159
ΔH_f, kcal/mol:	4.25
Dipole, Da:	9.6
IP(EA), eV:	-9.17(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[5-(5-methoxypyridin-3-yl)-1,2-dihydroindazol-3-ylidene]-4-piperidin-1-ylpyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=C(O1)C=CC(=N2)NC(=O)C(CC3=CC=CC=C3)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl)C

DOS

IR

Vibrations