Geometry & MOs

Info

ID:	63353
PubChem CID:	26758134
Reduced:	N3O6C17H19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-227.98
Dipole, Da:	4.4
IP(EA), eV:	-10.03(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-ethoxy-3-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCNC(=O)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations