Geometry & MOs

Info

ID:

161934

PubChem CID:

57393106

Reduced:

BrClO3N5C31H33 (1)

Stoich.:

ABC3D5E31F33 (1)

Weight, g/mol:

468.158467

ΔHf, kcal/mol:

35.86

Dipole, Da:

12.93

IP(EA), eV:

 -8.54(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-fluoropropoxy)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

Drug info:

PubChemData

Smile

CN1C(=CC=C1[N+](=O)[O-])C[N+](C)(C)CC2=CC=C(C=C2)/C=C/C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl.[Br-]

DOS

IR

Vibrations