Geometry & MOs

Info

ID:	282075
PubChem CID:	103915271
Reduced:	BrClN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	351.04701
ΔH_f, kcal/mol:	48.27
Dipole, Da:	1.71
IP(EA), eV:	-9.03(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN[C@@H](C)C2=CC=CC=C2Br)Cl)C

DOS

IR

Vibrations