Geometry & MOs

Info

ID:	227302
PubChem CID:	87561148
Reduced:	N2O4C51H102 (1)
Stoich.:	A2B4C51D102 (1)
Weight, g/mol:	283.072369
ΔH_f, kcal/mol:	-326.57
Dipole, Da:	13.73
IP(EA), eV:	-9.15(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol

Drug info:

PubChemData

Smile

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C(C(=O)[O-])(C(=O)[O-])[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

DOS

IR

Vibrations