Geometry & MOs

Info

ID:

309735

PubChem CID:

126556674

Reduced:

SN6H16C23 (1)

Stoich.:

AB6C16D23 (1)

Weight, g/mol:

546.254338

ΔHf, kcal/mol:

208.59

Dipole, Da:

3.96

IP(EA), eV:

 -8.57(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[6-methyl-5-(4-methylpyridin-3-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC=NC=C6)/C=C32

DOS

IR

Vibrations