Geometry & MOs

Info

ID:	191371
PubChem CID:	78138709
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	436.224974
ΔH_f, kcal/mol:	24.89
Dipole, Da:	2.77
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethoxyphenyl)-1-(2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C2N1N=C(C=C2)C=CC3=CC=CC=C3

DOS

IR

Vibrations