Geometry & MOs

Info

ID:	387906
PubChem CID:	134987353
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	111.104799
ΔH_f, kcal/mol:	30.18
Dipole, Da:	6.13
IP(EA), eV:	-9.03(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-1-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S/C(=C/C=O)/CCCC#N

DOS

IR

Vibrations