Geometry & MOs

Info

ID:	342517
PubChem CID:	127265672
Reduced:	S2N3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	118.05
Dipole, Da:	1.44
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2-pyrazin-2-ylprop-1-enyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1=CSC(=N1)C2=CC=CS2)C3=NC=CN=C3

DOS

IR

Vibrations