Geometry & MOs

Info

ID:	62781
PubChem CID:	26736760
Reduced:	ClON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	418.140783
ΔH_f, kcal/mol:	8.17
Dipole, Da:	4.71
IP(EA), eV:	-8.57(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-[4-(2-methoxyethylamino)-3-nitrophenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations