Geometry & MOs

Info

ID:	426263
PubChem CID:	135143048
Reduced:	FO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	412.282489
ΔH_f, kcal/mol:	-96.21
Dipole, Da:	4.24
IP(EA), eV:	-9.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(carboxymethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]-4-[(2-methylpropan-2-yl)oxy]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1N(C(=O)C(N1C(=O)N(C)C2=CC=C(C=C2)F)CC3=CC=CC=C3)C

DOS

IR

Vibrations