Geometry & MOs

Info

ID:	385233
PubChem CID:	134978589
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	372.190942
ΔH_f, kcal/mol:	-53.91
Dipole, Da:	4.12
IP(EA), eV:	-9.18(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,3aR)-3-[[tert-butyl(diphenyl)silyl]methylidene]-3a,4,5,6-tetrahydropentalen-2-one

Drug info:

PubChemData

Smile

CN1CCCCCCCCC#CCCCCC1=O

DOS

IR

Vibrations