Geometry & MOs

Info

ID:	195400
PubChem CID:	78681954
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-155.84
Dipole, Da:	5.68
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)N2CCCC3C2CCCC3

DOS

IR

Vibrations