Geometry & MOs

Info

ID:	282355
PubChem CID:	103923120
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	499.0186
ΔH_f, kcal/mol:	-11.48
Dipole, Da:	1.39
IP(EA), eV:	-8.77(2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CCC1CC1NCC2CCCC2

DOS

IR

Vibrations