Geometry & MOs

Info

ID:	319700
PubChem CID:	126657041
Reduced:	OS2C23H46 (1)
Stoich.:	AB2C23D46 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-129.25
Dipole, Da:	4.43
IP(EA), eV:	-8.49(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3a,4-dihydro-1,3-benzodioxol-5-ylmethyl)cycloheptan-1-imine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSCSC(C)(C)C(CC(C)(C)C)C=O

DOS

IR

Vibrations