Geometry & MOs

Info

ID:

444126

PubChem CID:

135261421

Reduced:

ON7H21C23 (1)

Stoich.:

AB7C21D23 (1)

Weight, g/mol:

494.163729

ΔHf, kcal/mol:

134.93

Dipole, Da:

5.04

IP(EA), eV:

 -8.28(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)O)/C=C32

DOS

IR

Vibrations