Geometry & MOs

Info

ID:

448155

PubChem CID:

135288879

Reduced:

SN6H28C30 (1)

Stoich.:

AB6C28D30 (1)

Weight, g/mol:

524.212473

ΔHf, kcal/mol:

178.92

Dipole, Da:

9.82

IP(EA), eV:

 -8.16(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC(=C6)CN7CCCCC7)NN4)/C=C32

DOS

IR

Vibrations