Geometry & MOs

Info

ID:	231015
PubChem CID:	87572459
Reduced:	NNaS2O3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	299.0171
ΔH_f, kcal/mol:	-126.05
Dipole, Da:	12.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759607
Charge, e:	0

Chem-info

IUPAC name:

N-iodo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCCS(=O)(=O)O.[Na]

DOS

IR

Vibrations