Geometry & MOs

Info

ID:

448184

PubChem CID:

135289082

Reduced:

ClO2N3H14C16 (2)

Stoich.:

AB2C3D14E16 (2)

Weight, g/mol:

530.168894

ΔHf, kcal/mol:

-18.86

Dipole, Da:

4.45

IP(EA), eV:

 -8.8(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[4-(5-fluorothiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

C1COCCC1OC2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations