Geometry & MOs

Info

ID:

317993

PubChem CID:

126648227

Reduced:

BrClPN3O10C19H22 (1)

Stoich.:

ABCD3E10F19G22 (1)

Weight, g/mol:

491.264488

ΔHf, kcal/mol:

-459.95

Dipole, Da:

7.85

IP(EA), eV:

 -9.17(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[4-[(1-propan-2-ylpyrazol-4-yl)amino]imidazo[1,2-a]quinoxalin-7-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C(=O)C=CNC2=O)(Cl)Br)O)OC3=CC=CC(=C3)OC

DOS

IR

Vibrations