Geometry & MOs

Info

ID:	225944
PubChem CID:	87246460
Reduced:	ClNO2H26C29 (1)
Stoich.:	ABC2D26E29 (1)
Weight, g/mol:	248.068473
ΔH_f, kcal/mol:	-1.38
Dipole, Da:	4.52
IP(EA), eV:	-9.18(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-methylchromen-2-one;prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(CO)C1=CC=CC=C1CCC(=O)C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3

DOS

IR

Vibrations