Geometry & MOs

Info

ID:	233658
PubChem CID:	91148249
Reduced:	N10C25H36 (1)
Stoich.:	A10B25C36 (1)
Weight, g/mol:	479.147506
ΔH_f, kcal/mol:	99.63
Dipole, Da:	2.84
IP(EA), eV:	-8.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-ethylphenyl]-1,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=N1)N2CCN(CC2)C)NC3=NC(=CC(=N3)N4CCN(CC4)C5=CC=CCC5)C

DOS

IR

Vibrations