Geometry & MOs

Info

ID:

448048

PubChem CID:

135287964

Reduced:

FON10C31H31 (1)

Stoich.:

ABC10D31E31 (1)

Weight, g/mol:

452.153164

ΔHf, kcal/mol:

121.82

Dipole, Da:

6.55

IP(EA), eV:

 -8.39(-2.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-1-[5-[(3Z)-3-(4-thiophen-3-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC(=CC(=C6)F)NCCN(C)C

DOS

IR

Vibrations