Geometry & MOs

Info

ID:	231277
PubChem CID:	87573337
Reduced:	SO2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	300.9869
ΔH_f, kcal/mol:	-134.3
Dipole, Da:	4.63
IP(EA), eV:	-8.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(bromomethyl)-3-chlorophenyl]pyrrolidine-1-carbaldehyde

Drug info:

PubChemData

Smile

C(CCCCCCC=CC(=O)O)CCCCCCS

DOS

IR

Vibrations