Geometry & MOs

Info

ID:	247006
PubChem CID:	103066332
Reduced:	ClSN3C7H10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	50.92
Dipole, Da:	4.1
IP(EA), eV:	-9.16(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-methylphenoxy)methyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CN1C(=NC=N1)SCC(=C)CCl

DOS

IR

Vibrations