Geometry & MOs

Info

ID:	150742
PubChem CID:	53790438
Reduced:	NO3C6H6 (4)
Stoich.:	AB3C6D6 (4)
Weight, g/mol:	242.057909
ΔH_f, kcal/mol:	-296.33
Dipole, Da:	4.4
IP(EA), eV:	-10.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxyphenyl) 3-formylbenzoate

Drug info:

PubChemData

Smile

CC(=O)OCC[C@@H]1[C@H](C(=O)N1C(C(=O)OCC2=CC=CC=C2[N+](=O)[O-])O)NC(=O)OCC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations