Geometry & MOs

Info

ID:	24951
PubChem CID:	615180
Reduced:	NO3H11C13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	458.147786
ΔH_f, kcal/mol:	-117.84
Dipole, Da:	2.8
IP(EA), eV:	-9.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-7-pyridin-4-yl-1-(2-pyridin-4-ylethenyl)-2-oxabicyclo[4.2.0]oct-4-en-3-one

Drug info:

PubChemData

Smile

COC1=CC(=O)OC(=C1)C2C(C3C2(OC(=O)C=C3OC)C=CC4=CC=NC=C4)C5=CC=NC=C5

DOS

IR

Vibrations