Geometry & MOs

Info

ID:	27741
PubChem CID:	823356
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	280.084792
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	3.79
IP(EA), eV:	-9.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-methyl-2-phenylfuro[2,3-d]pyrimidin-4-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CN=CC2=CC=CC=C2O)O

DOS

IR

Vibrations