Geometry & MOs

Info

ID:	231440
PubChem CID:	87573718
Reduced:	FO2C30H45 (1)
Stoich.:	AB2C30D45 (1)
Weight, g/mol:	389.0124
ΔH_f, kcal/mol:	-196.34
Dipole, Da:	3.24
IP(EA), eV:	-9.55(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)F

DOS

IR

Vibrations