Geometry & MOs

Info

ID:

80547

PubChem CID:

49835074

Reduced:

Cl2S2O5N14C46H58 (1)

Stoich.:

A2B2C5D14E46F58 (1)

Weight, g/mol:

457.222623

ΔHf, kcal/mol:

-94.93

Dipole, Da:

7.6

IP(EA), eV:

 -8.43(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[5-(methoxymethyl)-6-(methylamino)pyridin-3-yl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CCO.CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO.CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO

DOS

IR

Vibrations