Geometry & MOs

Info

ID:

444185

PubChem CID:

135261612

Reduced:

FON8C34H35 (1)

Stoich.:

ABC8D34E35 (1)

Weight, g/mol:

476.207307

ΔHf, kcal/mol:

113.35

Dipole, Da:

7.16

IP(EA), eV:

 -8.65(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-2-[5-[(3Z)-3-(4-pyridin-2-ylpyrrolo[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)CCOC1=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