Geometry & MOs

Info

ID:

449370

PubChem CID:

135298048

Reduced:

N8H24C27 (1)

Stoich.:

A8B24C27 (1)

Weight, g/mol:

516.238608

ΔHf, kcal/mol:

208.47

Dipole, Da:

11.67

IP(EA), eV:

 -8.54(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3-dimethyl-N-[5-[(3Z)-3-[7-(3-methylphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(C)C)NN4)/N=C23

DOS

IR

Vibrations