Geometry & MOs

Info

ID:	26127
PubChem CID:	639088
Reduced:	ClNO3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	236.024022
ΔH_f, kcal/mol:	-39.56
Dipole, Da:	11.05
IP(EA), eV:	-8.91(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-chloro-2-methylchromen-4-one

Drug info:

PubChemData

Smile

CN(C)/C=C/C1=C(C(=O)C2=C(O1)C=CC(=C2)Cl)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations