Geometry & MOs

Info

ID:	214055
PubChem CID:	81065960
Reduced:	NO2F5C12H12 (1)
Stoich.:	AB2C5D12E12 (1)
Weight, g/mol:	364.02341
ΔH_f, kcal/mol:	-298.93
Dipole, Da:	5.52
IP(EA), eV:	-9.6(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-bromo-4,6-difluorophenyl)carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations