Geometry & MOs

Info

ID:	401868
PubChem CID:	135053123
Reduced:	NO5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	301.050571
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	6.33
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-methylphenyl)-3-nitro-4H-chromene

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)OC(=C(C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations