Geometry & MOs

Info

ID:	226696
PubChem CID:	87556921
Reduced:	N2Si3C15H35 (1)
Stoich.:	A2B3C15D35 (1)
Weight, g/mol:	357.0176
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	1.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751633
Charge, e:	0

Chem-info

IUPAC name:

4-[2-bromo-3-(hydroxyamino)-3a-methyl-4,5,6,6a-tetrahydropentalen-1-ylidene]-2,6-difluorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)NC(/C=C/[Si])N[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations