Geometry & MOs

Info

ID:	206631
PubChem CID:	80276540
Reduced:	FSN3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	49.65
Dipole, Da:	2.3
IP(EA), eV:	-8.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(methoxymethyl)anilino]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NNC(=N2)C3=CC=CS3)F

DOS

IR

Vibrations