Geometry & MOs

Info

ID:

444111

PubChem CID:

135261341

Reduced:

FN9C34H36 (1)

Stoich.:

AB9C34D36 (1)

Weight, g/mol:

506.197886

ΔHf, kcal/mol:

146.76

Dipole, Da:

2.43

IP(EA), eV:

 -8.54(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-[4-(2-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CN=CC(=C6)CN7CCCCC7)/C=C32)F

DOS

IR

Vibrations