Geometry & MOs

Info

ID:	147520
PubChem CID:	53787176
Reduced:	O2N4C7H16 (1)
Stoich.:	A2B4C7D16 (1)
Weight, g/mol:	236.068473
ΔH_f, kcal/mol:	-66.63
Dipole, Da:	5.77
IP(EA), eV:	-9.36(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-methyl 4-O-(2-oxopropyl) benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C(CCC(=O)O)CCN=C(N)NN

DOS

IR

Vibrations