Geometry & MOs

Info

ID:	184881
PubChem CID:	77223565
Reduced:	FON2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	409.150093
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	4.52
IP(EA), eV:	-9.01(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-methoxy-2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CC=C(C=C2)C3(CC(CN3)F)CC#N

DOS

IR

Vibrations