Geometry & MOs

Info

ID:	410924
PubChem CID:	135083725
Reduced:	ON2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	213.064592
ΔH_f, kcal/mol:	45.08
Dipole, Da:	3.08
IP(EA), eV:	-8.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,5-dimethyl-1,3-dithian-2-yl)-1H-pyrrole

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C#CC2=CC=CC=C2N

DOS

IR

Vibrations