Geometry & MOs

Info

ID:

448203

PubChem CID:

135289235

Reduced:

FO2N9C35H36 (1)

Stoich.:

AB2C9D35E36 (1)

Weight, g/mol:

492.173231

ΔHf, kcal/mol:

68.81

Dipole, Da:

14.22

IP(EA), eV:

 -8.62(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-N-[5-[(3Z)-3-(4-thiophen-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)F)OCCN7CCCC7

DOS

IR

Vibrations