Geometry & MOs

Info

ID:	286666
PubChem CID:	104179656
Reduced:	SN2O2C16H32 (1)
Stoich.:	AB2C2D16E32 (1)
Weight, g/mol:	247.142842
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	4.66
IP(EA), eV:	-8.56(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylsulfanylpropyl)-2-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CCSCCCNC1CCC(CC1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations