Geometry & MOs

Info

ID:	342574
PubChem CID:	127265734
Reduced:	N2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	124.38
Dipole, Da:	1.92
IP(EA), eV:	-9.05(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-pyrazin-2-ylprop-1-enyl)phenoxy]butanenitrile

Drug info:

PubChemData

Smile

CC(=CC1=CC(=CC=C1)N2C=CC=N2)C3=NC=CN=C3

DOS

IR

Vibrations