Geometry & MOs

Info

ID:

43810

PubChem CID:

10321819

Reduced:

N2O8C23H24 (1)

Stoich.:

A2B8C23D24 (1)

Weight, g/mol:

456.186064

ΔHf, kcal/mol:

-207.29

Dipole, Da:

6.17

IP(EA), eV:

 -9.84(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]ethyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C[C@@]1([C@H](N[C@@]([C@H]1C(=O)OC)(C2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations