Geometry & MOs

Info

ID:	342460
PubChem CID:	127265615
Reduced:	N2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	123.03
Dipole, Da:	5.6
IP(EA), eV:	-9.02(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2-pyrimidin-4-ylethenyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC3=NC=NC=C3

DOS

IR

Vibrations