Geometry & MOs

Info

ID:	401888
PubChem CID:	135053213
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	287.034921
ΔH_f, kcal/mol:	-99.79
Dipole, Da:	3.31
IP(EA), eV:	-9.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-nitro-4H-chromene

Drug info:

PubChemData

Smile

CCCC1/C(=C\O)/C(=O)C2=CC=CC=C2O1

DOS

IR

Vibrations