Geometry & MOs

Info

ID:	36931
PubChem CID:	8015019
Reduced:	N2O3H14C17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	416.147118
ΔH_f, kcal/mol:	-35.7
Dipole, Da:	6.19
IP(EA), eV:	-8.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[4-(2-ethoxyphenoxy)butanoyloxy]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C2=NC(=O)C3=CC=CC=C3N2)O

DOS

IR

Vibrations