Geometry & MOs

Info

ID:	209084
PubChem CID:	80620978
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	241.186421
ΔH_f, kcal/mol:	-12.17
Dipole, Da:	2.22
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylcyclohexyl)-N-methyl-1-(thiolan-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CCSC(C1)C2=NOC(=N2)C3=CC=C(C=C3)NCCO

DOS

IR

Vibrations