Geometry & MOs

Info

ID:

308833

PubChem CID:

126522856

Reduced:

SN6H28C30 (1)

Stoich.:

AB6C28D30 (1)

Weight, g/mol:

506.223038

ΔHf, kcal/mol:

183.1

Dipole, Da:

7.25

IP(EA), eV:

 -8.48(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2E)-2-[5-(4-methylpyridin-3-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CN=CC(=C6)CN7CCCCC7)NN4)/C=C23

DOS

IR

Vibrations