Geometry & MOs

Info

ID:	189026
PubChem CID:	77805296
Reduced:	N2O6H34C37 (1)
Stoich.:	A2B6C34D37 (1)
Weight, g/mol:	370.205656
ΔH_f, kcal/mol:	-145.97
Dipole, Da:	1.04
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[5-(6-pentoxyhept-1-enylidene)pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC(C(=O)OCC2=CC=CC=C2)O)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations