Geometry & MOs

Info

ID:	394150
PubChem CID:	135022426
Reduced:	ON4H34C35 (1)
Stoich.:	AB4C34D35 (1)
Weight, g/mol:	376.094688
ΔH_f, kcal/mol:	98.77
Dipole, Da:	6.52
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4Z)-4-[hydroxy-(2-oxochromen-3-yl)methylidene]-1-(2-hydroxyphenyl)hex-2-ene-1,5-dione

Drug info:

PubChemData

Smile

CC1(C2CC1C3=C(C2)N=C(C=C3)C4=NC(=CC=C4)C(=O)C5=CC=CC(=N5)C6=NC7=C(C=C6)C8CC(C7)C8(C)C)C

DOS

IR

Vibrations