Geometry & MOs

Info

ID:	247145
PubChem CID:	103068149
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	201.155121
ΔH_f, kcal/mol:	-18.02
Dipole, Da:	5.75
IP(EA), eV:	-9.27(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(tert-butylsulfanylmethyl)-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CSC1=NC=CC(=O)N1

DOS

IR

Vibrations