Geometry & MOs

Info

ID:	313441
PubChem CID:	126614736
Reduced:	N4O4C11H16 (1)
Stoich.:	A4B4C11D16 (1)
Weight, g/mol:	230.188195
ΔH_f, kcal/mol:	-139.15
Dipole, Da:	1.23
IP(EA), eV:	-8.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)N1C=NC2=C1C(=O)N(C(N2C)O)C

DOS

IR

Vibrations