Geometry & MOs

Info

ID:	206111
PubChem CID:	80204882
Reduced:	NO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	355.00195
ΔH_f, kcal/mol:	-106.44
Dipole, Da:	4.07
IP(EA), eV:	-8.24(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromoanilino)-2-(3,5-difluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCNCC1=C(C(=CC=C1)OC)O

DOS

IR

Vibrations