Geometry & MOs

Info

ID:	327146
PubChem CID:	126689101
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	491.210801
ΔH_f, kcal/mol:	-132.72
Dipole, Da:	7.81
IP(EA), eV:	-9.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]acetic acid

Drug info:

PubChemData

Smile

COC1(CC(N(C1)C(=O)O)CO)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations