Geometry & MOs

Info

ID:

444179

PubChem CID:

135261598

Reduced:

FN9C35H38 (1)

Stoich.:

AB9C35D38 (1)

Weight, g/mol:

495.18413

ΔHf, kcal/mol:

142.95

Dipole, Da:

1.13

IP(EA), eV:

 -8.53(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-2-[5-[(3Z)-3-[4-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]oxyethanamine

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)CNCC7CCCC7)/C=C32)F

DOS

IR

Vibrations