Geometry & MOs

Info

ID:	339127
PubChem CID:	127260506
Reduced:	NO6H13C15 (1)
Stoich.:	AB6C13D15 (1)
Weight, g/mol:	301.095023
ΔH_f, kcal/mol:	-123.83
Dipole, Da:	8.54
IP(EA), eV:	-9.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-(4-nitrophenyl)propyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCCOC2=CC(=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations