Geometry & MOs

Info

ID:	291467
PubChem CID:	112447399
Reduced:	ION6C22H31 (1)
Stoich.:	ABC6D22E31 (1)
Weight, g/mol:	309.009012
ΔH_f, kcal/mol:	15.79
Dipole, Da:	4.61
IP(EA), eV:	-8.94(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-2-(3,4-dichlorophenyl)ethyl]-methylamino]propanoic acid

Drug info:

PubChemData

Smile

CCNC(=NCC1=NN(C=C1)C2CCCC2)NCC3CC(=O)NC4=CC=CC=C34.I

DOS

IR

Vibrations