Geometry & MOs

Info

ID:

444160

PubChem CID:

135261538

Reduced:

FON7H20C27 (1)

Stoich.:

ABC7D20E27 (1)

Weight, g/mol:

493.202637

ΔHf, kcal/mol:

113.64

Dipole, Da:

9.84

IP(EA), eV:

 -8.65(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-(5-pyridin-4-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

CCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=C(C=C6)F)/NN3

DOS

IR

Vibrations