Geometry & MOs

Info

ID:	166912
PubChem CID:	74753126
Reduced:	N4O4H14C19 (1)
Stoich.:	A4B4C14D19 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-9.35
Dipole, Da:	1.9
IP(EA), eV:	-9.43(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-[4-(cyanomethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C=CC3=CC=C(C=C3)OCC#N

DOS

IR

Vibrations