Geometry & MOs

Info

ID:

325523

PubChem CID:

126683771

Reduced:

NF2O3H27C30 (1)

Stoich.:

AB2C3D27E30 (1)

Weight, g/mol:

491.05289

ΔHf, kcal/mol:

-145.32

Dipole, Da:

5.56

IP(EA), eV:

 -8.89(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-ethyl-2-iodo-5-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)-3a,4,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1[C@@H]2C[C@@H](OC3=CC=CC=C23)CN[C@H](C)C4=CC=CC5=CC=CC=C54)F)C(=O)O)F

DOS

IR

Vibrations