Geometry & MOs

Info

ID:	204436
PubChem CID:	79965663
Reduced:	NS2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	378.99254
ΔH_f, kcal/mol:	-20.47
Dipole, Da:	2.02
IP(EA), eV:	-8.43(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dithian-2-yl)-2-(4-iodophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCCC(C1CSCCS1)NC

DOS

IR

Vibrations