Geometry & MOs

Info

ID:	402794
PubChem CID:	135057294
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	346.97878
ΔH_f, kcal/mol:	-152.56
Dipole, Da:	6.87
IP(EA), eV:	-10.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-(phenylselanylmethyl)-2,3-dihydropyrrol-1-ium;bromide

Drug info:

PubChemData

Smile

CC(C)C(C#CC(=O)OC)O/C=C/C(=O)O

DOS

IR

Vibrations