Geometry & MOs

Info

ID:

83574

PubChem CID:

49858015

Reduced:

O4C7H8 (4)

Stoich.:

A4B7C8 (4)

Weight, g/mol:

463.274739

ΔHf, kcal/mol:

-617.63

Dipole, Da:

11.7

IP(EA), eV:

 -8.78(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dipropylamino)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H](C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O

DOS

IR

Vibrations