Geometry & MOs

Info

ID:	426398
PubChem CID:	135143808
Reduced:	N4H38C57 (1)
Stoich.:	A4B38C57 (1)
Weight, g/mol:	206.085541
ΔH_f, kcal/mol:	282.19
Dipole, Da:	1.19
IP(EA), eV:	-8.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-ynoxy-5-[(Z)-1-fluoroprop-1-enyl]pyrazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=CC=C(C=C7)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations