Geometry & MOs

Info

ID:	434535
PubChem CID:	135175143
Reduced:	ClNO3C7H12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	458.383206
ΔH_f, kcal/mol:	-144.03
Dipole, Da:	1.67
IP(EA), eV:	-9.58(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-4-[4-[2-[3-[4-(3-methoxypropyl)piperazin-1-yl]propoxy]ethoxy]butyl]piperazine

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@H](CN1CCl)O

DOS

IR

Vibrations