Geometry & MOs

Info

ID:	62783
PubChem CID:	26736768
Reduced:	ClON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	419.124798
ΔH_f, kcal/mol:	9.33
Dipole, Da:	3.88
IP(EA), eV:	-8.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations