Geometry & MOs

Info

ID:	358748
PubChem CID:	127296562
Reduced:	SN2O2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	3.78
IP(EA), eV:	-9.48(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylidenepiperidin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C=C1CCN(CC1)S(=O)(=O)N2CCCCCC2

DOS

IR

Vibrations