Geometry & MOs

Info

ID:	146492
PubChem CID:	53697511
Reduced:	N2O5C36H44 (1)
Stoich.:	A2B5C36D44 (1)
Weight, g/mol:	482.260807
ΔH_f, kcal/mol:	-158.47
Dipole, Da:	4.02
IP(EA), eV:	-8.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]-2-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C=CC2=CC=CC(=N2)COCCCCC3=CC=C(C=C3)OC4CCC4)C(=O)O

DOS

IR

Vibrations