Geometry & MOs

Info

ID:	49188
PubChem CID:	11528843
Reduced:	N2O3H8C13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	240.078644
ΔH_f, kcal/mol:	-30.39
Dipole, Da:	6.04
IP(EA), eV:	-9.86(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-formylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)C(=O)O

DOS

IR

Vibrations