Geometry & MOs

Info

ID:	263204
PubChem CID:	103345687
Reduced:	ClNOS2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	259.142842
ΔH_f, kcal/mol:	-52.37
Dipole, Da:	2.63
IP(EA), eV:	-8.55(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(CC2=CC(=CC3=C2OCC3)Cl)N)C

DOS

IR

Vibrations