Geometry & MOs

Info

ID:	184644
PubChem CID:	77187033
Reduced:	ClSN2O5C13H15 (1)
Stoich.:	ABC2D5E13F15 (1)
Weight, g/mol:	209.097127
ΔH_f, kcal/mol:	-196.57
Dipole, Da:	8.59
IP(EA), eV:	-9.73(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-chloroethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CC(N(C1=O)C2=CC=CC=C2Cl)C(=O)O

DOS

IR

Vibrations