Geometry & MOs

Info

ID:

187046

PubChem CID:

77525240

Reduced:

NO2F3C30H32 (1)

Stoich.:

AB2C3D30E32 (1)

Weight, g/mol:

530.267525

ΔHf, kcal/mol:

-205.26

Dipole, Da:

3.64

IP(EA), eV:

 -8.72(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyclohexyl-2-[2-ethoxy-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]-8-methyl-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)OCC3=CC=CC=N3)C4(C1CC(CC4)(CCC(F)(F)F)O)CC5=CC=CC=C5

DOS

IR

Vibrations