Geometry & MOs

Info

ID:	88585
PubChem CID:	49955584
Reduced:	BrNC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	299.062102
ΔH_f, kcal/mol:	5.56
Dipole, Da:	2.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.093003
Charge, e:	-1

Chem-info

IUPAC name:

3-(2-aminoethylsulfanyl)-1-benzylpyrrolidine-2,5-dione;chloride

Drug info:

PubChemData

Smile

CC1=CC2=C(CCCN2)C=C1.[Br-]

DOS

IR

Vibrations