Geometry & MOs

Info

ID:	342299
PubChem CID:	127265076
Reduced:	ClON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	308.116092
ΔH_f, kcal/mol:	10.77
Dipole, Da:	2.97
IP(EA), eV:	-9.05(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[2-(5-cyanopyridin-2-yl)ethenyl]phenoxy]propanoate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCC3=C2C=CC=C3Cl)C

DOS

IR

Vibrations