Geometry & MOs

Info

ID:	26126
PubChem CID:	639086
Reduced:	ClN2O5H9C10 (1)
Stoich.:	AB2C5D9E10 (1)
Weight, g/mol:	353.081871
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	2.37
IP(EA), eV:	-9.43(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-6-chloro-2-[(E)-2-(dimethylamino)ethenyl]chromen-4-one

Drug info:

PubChemData

Smile

C1N(C(=O)C2=C(O1)C=CC(=C2)Cl)CCO[N+](=O)[O-]

DOS

IR

Vibrations