Geometry & MOs

Info

ID:	340846
PubChem CID:	127263281
Reduced:	BrCl2N2C7H11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	310.077032
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	8.32
IP(EA), eV:	-10.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;dihydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=NC=C1)Br)N.Cl.Cl

DOS

IR

Vibrations