Geometry & MOs

Info

ID:

244502

PubChem CID:

99355760

Reduced:

O2N3C26H43 (1)

Stoich.:

A2B3C26D43 (1)

Weight, g/mol:

487.261711

ΔHf, kcal/mol:

-145.38

Dipole, Da:

3.07

IP(EA), eV:

 -8.62(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyclopropyl-N-[[(1S,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@](C1)(CNC(=O)[C@@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)N(C)C

DOS

IR

Vibrations