Geometry & MOs

Info

ID:	342578
PubChem CID:	127265738
Reduced:	OSN3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	275.046154
ΔH_f, kcal/mol:	78.52
Dipole, Da:	1.21
IP(EA), eV:	-8.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-chloro-4-nitrophenyl)prop-1-en-2-yl]pyrazine

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)OCC2=CSC=N2)C3=NC=CN=C3

DOS

IR

Vibrations