Geometry & MOs

Info

ID:

308969

PubChem CID:

126533098

Reduced:

FO2N8C35H35 (1)

Stoich.:

AB2C8D35E35 (1)

Weight, g/mol:

369.170194

ΔHf, kcal/mol:

85.48

Dipole, Da:

9.35

IP(EA), eV:

 -8.64(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3E)-3-pyrrolo[2,3-c]pyridin-2-ylidene-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C/5\C6=C(C=CC(=N6)C7=CC(=CN=C7)OC8CCNCC8)NN5)/C=C43)F

DOS

IR

Vibrations