Geometry & MOs

Info

ID:	216449
PubChem CID:	85086254
Reduced:	N4O5C10H14 (1)
Stoich.:	A4B5C10D14 (1)
Weight, g/mol:	270.110338
ΔH_f, kcal/mol:	-162.4
Dipole, Da:	1.28
IP(EA), eV:	-9.73(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-but-2-enoxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-2H-furan-5-one

Drug info:

PubChemData

Smile

C1=NC2C(C(=O)N1)N(C=N2)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations