Geometry & MOs

Info

ID:	401852
PubChem CID:	135052962
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	314.985384
ΔH_f, kcal/mol:	8.14
Dipole, Da:	4.91
IP(EA), eV:	-9.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-4-oxochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(CC3=CC=CC=C3O2)[N+](=O)[O-]

DOS

IR

Vibrations