Geometry & MOs

Info

ID:	85267
PubChem CID:	49873325
Reduced:	FN4H7C11 (2)
Stoich.:	AB4C7D11 (2)
Weight, g/mol:	553.260392
ΔH_f, kcal/mol:	100.19
Dipole, Da:	1.67
IP(EA), eV:	-9.45(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-azaspiro[2.5]octan-6-yl-(4-fluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]phenyl]-2-methylpentanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C2C=C(C=CC2=N1)F)C3=CC(=CN=C3)F)N4C5=NC=NC(=C5C(=N4)C#N)N

DOS

IR

Vibrations