Geometry & MOs

Info

ID:	170693
PubChem CID:	75268544
Reduced:	ClNO4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	264.11503
ΔH_f, kcal/mol:	-108.92
Dipole, Da:	4.12
IP(EA), eV:	-9.56(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethylphenyl)methylidene]chromen-4-one

Drug info:

PubChemData

Smile

COCCOC(=O)C(=CC1=CC(=C(C=C1)O)Cl)C#N

DOS

IR

Vibrations