Geometry & MOs

Info

ID:	401854
PubChem CID:	135052975
Reduced:	NO2H19C21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-6.04
Dipole, Da:	2.59
IP(EA), eV:	-8.38(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethoxy-2-(3-methylphenyl)-3-nitro-4H-chromene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations