Geometry & MOs

Info

ID:	435315
PubChem CID:	135190665
Reduced:	SN3C28H39 (1)
Stoich.:	AB3C28D39 (1)
Weight, g/mol:	143.076871
ΔH_f, kcal/mol:	32.7
Dipole, Da:	1.14
IP(EA), eV:	-8.3(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)CN2C(=C(C(=N2)C3=CC=C(CC3)C)C4=CC=CC=C4)SCCN

DOS

IR

Vibrations