Geometry & MOs

Info

ID:	342749
PubChem CID:	127265912
Reduced:	ClN4H9C15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	128.95
Dipole, Da:	5.9
IP(EA), eV:	-9.31(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(3-cyanopropoxy)phenyl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1Cl)C=CC3=C(C=NC=C3)C#N

DOS

IR

Vibrations