Geometry & MOs

Info

ID:	342573
PubChem CID:	127265733
Reduced:	OSN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	262.121846
ΔH_f, kcal/mol:	83.34
Dipole, Da:	1.38
IP(EA), eV:	-8.95(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-pyrazol-1-ylphenyl)prop-1-en-2-yl]pyrazine

Drug info:

PubChemData

Smile

CC(=CC1=CSC(=N1)C2=CC=CO2)C3=NC=CN=C3

DOS

IR

Vibrations