Geometry & MOs

Info

ID:	85365
PubChem CID:	49874351
Reduced:	VP2N5C10O12H19 (1)
Stoich.:	AB2C5D10E12F19 (1)
Weight, g/mol:	298.03216
ΔH_f, kcal/mol:	-460.38
Dipole, Da:	2.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.302084
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol;yttrium

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N.O.O.[V]

DOS

IR

Vibrations