Geometry & MOs

Info

ID:

189977

PubChem CID:

77935788

Reduced:

O3N4C26H36 (1)

Stoich.:

A3B4C26D36 (1)

Weight, g/mol:

625.214818

ΔHf, kcal/mol:

-82.93

Dipole, Da:

5.54

IP(EA), eV:

 -8.6(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-nitro-7-[[4-[4-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]piperazin-1-yl]phenoxy]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C1CNC(=O)C2=C(C(=CC(=C2)C3CN(C3)C)N(C)C4CCOCC4)C)C

DOS

IR

Vibrations