Geometry & MOs

Info

ID:	271606
PubChem CID:	103685810
Reduced:	ClSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	297.059028
ΔH_f, kcal/mol:	46.31
Dipole, Da:	2.03
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

C#CCSCCNCC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations