Geometry & MOs

Info

ID:	383631
PubChem CID:	134975448
Reduced:	NC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	212.032957
ΔH_f, kcal/mol:	48.76
Dipole, Da:	7.1
IP(EA), eV:	-8.56(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-3-oxa-4lambda4,5-dithiatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NC3=C2C=C(C=C3)C#N

DOS

IR

Vibrations