Geometry & MOs

Info

ID:	401029
PubChem CID:	135049817
Reduced:	OC11H13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-19.14
Dipole, Da:	1.46
IP(EA), eV:	-9.15(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,6-dipropylpyrazin-2-yl)sulfinyl-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C[C@](CO/C=C\[C@H](CC=C)C1=CC=CC=C1)(C2=CC=CC=C2)OC

DOS

IR

Vibrations