Geometry & MOs

Info

ID:	197217
PubChem CID:	78938636
Reduced:	NCl2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	269.123821
ΔH_f, kcal/mol:	-57.34
Dipole, Da:	7.4
IP(EA), eV:	-9.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])O

DOS

IR

Vibrations