Geometry & MOs

Info

ID:	342401
PubChem CID:	127265224
Reduced:	N2F3H9C13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	262.121846
ΔH_f, kcal/mol:	-61.52
Dipole, Da:	1.59
IP(EA), eV:	-9.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC1=CC(=C(C=C1F)F)F)C2=NC=CN=C2

DOS

IR

Vibrations