Geometry & MOs

Info

ID:

127425

PubChem CID:

51001785

Reduced:

ClON5H24C25 (1)

Stoich.:

ABC5D24E25 (1)

Weight, g/mol:

460.233522

ΔHf, kcal/mol:

64.69

Dipole, Da:

6.73

IP(EA), eV:

 -8.31(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C(=C1)C)N=C3C4=CC=CC=C4/C(=N\C5=NC=CC=N5)/C=C3O2.Cl

DOS

IR

Vibrations