Geometry & MOs

Info

ID:	147739
PubChem CID:	53787397
Reduced:	O4C13H24 (2)
Stoich.:	A4B13C24 (2)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-431.17
Dipole, Da:	7.17
IP(EA), eV:	-10.14(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-pyrrolidin-2-ylpropan-2-yloxy)phenyl]sulfanylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)OC(=O)CCCCCCCCC

DOS

IR

Vibrations