Geometry & MOs

Info

ID:	294884
PubChem CID:	117502304
Reduced:	ClF2N2O3H11C13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	316.083469
ΔH_f, kcal/mol:	-157.57
Dipole, Da:	7.85
IP(EA), eV:	-10.09(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[3-chloro-4,5-bis(methylsulfanyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=CC(=C(C(=C2F)F)COC)Cl

DOS

IR

Vibrations