Geometry & MOs

Info

ID:	206109
PubChem CID:	80204558
Reduced:	NF2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	291.107085
ΔH_f, kcal/mol:	-183.95
Dipole, Da:	6.18
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3,5-difluorophenyl)ethylamino]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)F)F)N2CCCCC2CCC(=O)O

DOS

IR

Vibrations