Geometry & MOs

Info

ID:	230972
PubChem CID:	87572356
Reduced:	Si2O3C28H31 (1)
Stoich.:	A2B3C28D31 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752685
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[(1-oxido-3-oxo-1,2-dihydropyrrol-1-ium-2-yl)methyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)O)/C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/CCC[Si]O[Si](C)C

DOS

IR

Vibrations