Geometry & MOs

Info

ID:

449141

PubChem CID:

135296298

Reduced:

FN5H26C30 (1)

Stoich.:

AB5C26D30 (1)

Weight, g/mol:

537.232874

ΔHf, kcal/mol:

113.17

Dipole, Da:

7.87

IP(EA), eV:

 -8.23(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(C)C)NN4)/C=C32

DOS

IR

Vibrations