Geometry & MOs

Info

ID:

308893

PubChem CID:

126531799

Reduced:

SN7H13C21 (1)

Stoich.:

AB7C13D21 (1)

Weight, g/mol:

494.163729

ΔHf, kcal/mol:

238.74

Dipole, Da:

7.76

IP(EA), eV:

 -8.7(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3E)-3-(4-thiophen-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CN=C6)NN4)/C=C32

DOS

IR

Vibrations