Geometry & MOs

Info

ID:	220797
PubChem CID:	85239923
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	267.111542
ΔH_f, kcal/mol:	-203.01
Dipole, Da:	3.96
IP(EA), eV:	-9.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,3-dithian-2-yl)-3-phenylpropan-2-amine

Drug info:

PubChemData

Smile

COC(=O)CC1CC(OC(O1)C2=CC=CC=C2)CO

DOS

IR

Vibrations