Geometry & MOs

Info

ID:

444137

PubChem CID:

135261440

Reduced:

SN9H21C25 (1)

Stoich.:

AB9C21D25 (1)

Weight, g/mol:

493.202637

ΔHf, kcal/mol:

237.72

Dipole, Da:

4.73

IP(EA), eV:

 -8.45(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-(5-pyridin-2-yl-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene)pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CN=CC(=N6)N7CC(C7)N)/C=C32

DOS

IR

Vibrations