Geometry & MOs

Info

ID:	343356
PubChem CID:	127266529
Reduced:	ClON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	51.74
Dipole, Da:	4.44
IP(EA), eV:	-8.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-(2-pyrazin-2-ylprop-1-enyl)benzonitrile

Drug info:

PubChemData

Smile

CC(=CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Cl)C3=NC=CN=C3

DOS

IR

Vibrations