Geometry & MOs

Info

ID:	227712
PubChem CID:	87562282
Reduced:	ClFN2O3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	405.251523
ΔH_f, kcal/mol:	-125.7
Dipole, Da:	7.48
IP(EA), eV:	-9.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(tert-butylamino)methyl]-4-(7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl)phenol

Drug info:

PubChemData

Smile

CCN/N=C(/C(=O)C1=C(C(=CC=C1)Cl)F)\C(=O)O

DOS

IR

Vibrations