Geometry & MOs

Info

ID:	147683
PubChem CID:	53787340
Reduced:	ClO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	270.052823
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	1.3
IP(EA), eV:	-8.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,6-trihydroxy-3-phenylchromen-4-one

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)C2=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)Cl

DOS

IR

Vibrations