Geometry & MOs

Info

ID:

448188

PubChem CID:

135289091

Reduced:

Cl2O2N7H21C30 (1)

Stoich.:

A2B2C7D21E30 (1)

Weight, g/mol:

518.223038

ΔHf, kcal/mol:

98.77

Dipole, Da:

2.73

IP(EA), eV:

 -8.99(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-4-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC3=C2C=CC=N3)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations