Geometry & MOs

Info

ID:	34196
PubChem CID:	7890250
Reduced:	ClFN3O4H9C13 (1)
Stoich.:	ABC3D4E9F13 (1)
Weight, g/mol:	296.0007
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	5.34
IP(EA), eV:	-9.44(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)methyl 3-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])Cl)F

DOS

IR

Vibrations