Geometry & MOs

Info

ID:	146248
PubChem CID:	53659248
Reduced:	NC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	435.111815
ΔH_f, kcal/mol:	13.93
Dipole, Da:	1.9
IP(EA), eV:	-8.93(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-3-fluorophenoxy]-2-(2-methylphenyl)acetic acid

Drug info:

PubChemData

Smile

C1CN2CC(CC1C2N)CC3=CC=CC=C3

DOS

IR

Vibrations