Geometry & MOs

Info

ID:	321158
PubChem CID:	126665065
Reduced:	BrSN2C17H37 (1)
Stoich.:	ABC2D17E37 (1)
Weight, g/mol:	250.19328
ΔH_f, kcal/mol:	-61.02
Dipole, Da:	11.91
IP(EA), eV:	-7.82(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-2-(1,2,2-trimethylcyclohexyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCCCCCCCCCCS)CN.[Br-]

DOS

IR

Vibrations