Geometry & MOs

Info

ID:

447932

PubChem CID:

135286926

Reduced:

OSN8H22C30 (1)

Stoich.:

ABC8D22E30 (1)

Weight, g/mol:

523.213201

ΔHf, kcal/mol:

203.08

Dipole, Da:

10.65

IP(EA), eV:

 -8.36(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)NN4)/N=C23

DOS

IR

Vibrations