Geometry & MOs

Info

ID:	226631
PubChem CID:	87550803
Reduced:	ON2S3C8H18 (1)
Stoich.:	AB2C3D8E18 (1)
Weight, g/mol:	297.152892
ΔH_f, kcal/mol:	-27.8
Dipole, Da:	6.56
IP(EA), eV:	-8.08(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde

Drug info:

PubChemData

Smile

CCN(CC)C=S.CSN(C=O)SC

DOS

IR

Vibrations