Geometry & MOs

Info

ID:	26099
PubChem CID:	638439
Reduced:	NO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	234.073953
ΔH_f, kcal/mol:	-51.67
Dipole, Da:	6.13
IP(EA), eV:	-9.15(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-methoxy-1,3-dioxolan-2-yl)propanedioate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])O

DOS

IR

Vibrations