Geometry & MOs

Info

ID:

312202

PubChem CID:

126603577

Reduced:

O7N8C55H62 (1)

Stoich.:

A7B8C55D62 (1)

Weight, g/mol:

416.14601

ΔHf, kcal/mol:

-71.4

Dipole, Da:

2.01

IP(EA), eV:

 -8.28(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydrofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C2N=C1C3=CC=CC(=C3)COC/C=C/COCC4=C(C=CC(=C4)N2C5/C=C/COCC6=C(C=CC(=C6)NC7=NC=CC(=N7)C8=COC(=C8)CO5)OCCN9CCCC9)OCCN1CCCC1

DOS

IR

Vibrations