Geometry & MOs

Info

ID:	424213
PubChem CID:	135121753
Reduced:	Na2P3N5C10H14O14 (1)
Stoich.:	A2B3C5D10E14F14 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-775.85
Dipole, Da:	25.65
IP(EA), eV:	-8.96(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(dimethylamino)methyl]phenol;4-[(dimethylamino)methyl]phenol

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-])OP(=O)([O-])[O-])O)O)N.O.[Na+].[Na+]

DOS

IR

Vibrations