Geometry & MOs

Info

ID:	157303
PubChem CID:	56422774
Reduced:	FO2N8C19H19 (1)
Stoich.:	AB2C8D19E19 (1)
Weight, g/mol:	372.171689
ΔH_f, kcal/mol:	0.51
Dipole, Da:	8.87
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-N-[3-[ethyl(methyl)amino]phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

DOS

IR

Vibrations