Geometry & MOs

Info

ID:	378878
PubChem CID:	134224980
Reduced:	SO2N6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	287.02047
ΔH_f, kcal/mol:	32.08
Dipole, Da:	5.03
IP(EA), eV:	-8.9(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-iodo-N-methyl-3-(methylsulfanylmethyl)pentan-1-amine

Drug info:

PubChemData

Smile

CSN1CC(C1)(C(=O)O)NC2=NC(=NC=C2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations