Geometry & MOs

Info

ID:	231552
PubChem CID:	87574097
Reduced:	PSF3O3C19H40 (1)
Stoich.:	ABC3D3E19F40 (1)
Weight, g/mol:	223.076392
ΔH_f, kcal/mol:	-404.05
Dipole, Da:	12.69
IP(EA), eV:	-10.46(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(chloromethyl)phenyl]pyrrolidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCCCCCCCCP(CC)(CC)(CC)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations