Geometry & MOs

Info

ID:	399404
PubChem CID:	135040135
Reduced:	SC12H15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	51.48
Dipole, Da:	1.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754480
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-8-methylimino-2-azabicyclo[2.2.2]octan-3-one

Drug info:

PubChemData

Smile

[CH2]CCCC=CSC1=CC=CC=C1

DOS

IR

Vibrations