Geometry & MOs

Info

ID:	86
PubChem CID:	2095
Reduced:	N2O4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	216.111007
ΔH_f, kcal/mol:	-165.53
Dipole, Da:	4.61
IP(EA), eV:	-9.38(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol

Drug info:

PubChemData

Smile

CN(C)C1=NC2C(C(C(C2O1)CO)O)O

DOS

IR

Vibrations