Geometry & MOs

Info

ID:

444149

PubChem CID:

135261473

Reduced:

SN7H19C23 (1)

Stoich.:

AB7C19D23 (1)

Weight, g/mol:

533.19978

ΔHf, kcal/mol:

196.01

Dipole, Da:

8.76

IP(EA), eV:

 -8.39(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-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

CC1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CN=C(N6C)C)/C=C32

DOS

IR

Vibrations