Geometry & MOs

Info

ID:	385341
PubChem CID:	134978812
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	153.072248
ΔH_f, kcal/mol:	-108.19
Dipole, Da:	3.67
IP(EA), eV:	-8.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-deuteriopropylsulfanylbenzene

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(C(=CC=C2)OC)N3[C@]1(CCC3=O)O

DOS

IR

Vibrations