Geometry & MOs

Info

ID:

448209

PubChem CID:

135289266

Reduced:

FON7H28C32 (1)

Stoich.:

ABC7D28E32 (1)

Weight, g/mol:

507.217144

ΔHf, kcal/mol:

92.78

Dipole, Da:

12.57

IP(EA), eV:

 -8.5(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC(=CC=C7)F

DOS

IR

Vibrations