Geometry & MOs

Info

ID:	177380
PubChem CID:	76178625
Reduced:	NO16C45H71 (1)
Stoich.:	AB16C45D71 (1)
Weight, g/mol:	209.98241
ΔH_f, kcal/mol:	-617.92
Dipole, Da:	4.19
IP(EA), eV:	-8.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-N-methylbenzene-6-ide-1,2-diamine;yttrium(3+)

Drug info:

PubChemData

Smile

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(=CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=CC(=O)OCC)C)C)COC3C(C(C(C(O3)C)OC(=O)C)OC)OC

DOS

IR

Vibrations