Geometry & MOs

Info

ID:	334892
PubChem CID:	127253698
Reduced:	N3O4H21C27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	366.073953
ΔH_f, kcal/mol:	-31.65
Dipole, Da:	4.61
IP(EA), eV:	-8.51(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-hydroxyphenyl)-6-methylfuro[3,2-c]pyran-4-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=NC6=CC=CC=C6N5)OC

DOS

IR

Vibrations