Geometry & MOs

Info

ID:

308680

PubChem CID:

126522376

Reduced:

N9H25C30 (1)

Stoich.:

A9B25C30 (1)

Weight, g/mol:

502.222957

ΔHf, kcal/mol:

249.81

Dipole, Da:

2.13

IP(EA), eV:

 -8.88(-2.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CN=CC(=C6)CNCC7=CC=CC=C7)/C=C23

DOS

IR

Vibrations