Geometry & MOs

Info

ID:	396958
PubChem CID:	135029511
Reduced:	N2O5H14C17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-137.52
Dipole, Da:	4.54
IP(EA), eV:	-9.54(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-formyl-5-methylfuran-3-yl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CO3

DOS

IR

Vibrations