Geometry & MOs

Info

ID:

299746

PubChem CID:

117689139

Reduced:

N4O7F8H88C90 (1)

Stoich.:

A4B7C8D88E90 (1)

Weight, g/mol:

343.153206

ΔHf, kcal/mol:

-465.35

Dipole, Da:

6.08

IP(EA), eV:

 -8.27(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-ethyl-6-[[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C2=C(C=C(C=C2)C(=NO)C3=CC=CC=C3OCC(C(C(C(COC4=CC=CC=C4C(=NOC(=O)C)C5=CC6=C(C=C5)N(C7=C6C=C(C8=CC=CC=C87)C(=O)C9=C(C=C(C=C9C)C)C)CC(CC)CCCC)(F)F)(F)F)(F)F)(F)F)C2=C1C1=CC=CC=C1C(=C2)C(=O)C1=C(C=C(C=C1C)C)C

DOS

IR

Vibrations