Geometry & MOs

Info

ID:

449450

PubChem CID:

135298707

Reduced:

FON7H32C36 (1)

Stoich.:

ABC7D32E36 (1)

Weight, g/mol:

476.212473

ΔHf, kcal/mol:

136.88

Dipole, Da:

7.56

IP(EA), eV:

 -8.24(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)OCC7=CC=CC=C7)NN4)/C=C32)F

DOS

IR

Vibrations