Geometry & MOs

Info

ID:

449871

PubChem CID:

135302193

Reduced:

FON9H30C35 (1)

Stoich.:

ABC9D30E35 (1)

Weight, g/mol:

549.27647

ΔHf, kcal/mol:

145.87

Dipole, Da:

11.61

IP(EA), eV:

 -8.38(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-[5-(propan-2-ylamino)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7)/C=C32)F

DOS

IR

Vibrations