Geometry & MOs

Info

ID:

44025

PubChem CID:

10322954

Reduced:

NO8C25H39 (1)

Stoich.:

AB8C25D39 (1)

Weight, g/mol:

481.259009

ΔHf, kcal/mol:

-378.22

Dipole, Da:

3.76

IP(EA), eV:

 -9.79(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[2-(benzylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-tert-butylbenzamide

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)CCN

DOS

IR

Vibrations