Geometry & MOs

Info

ID:	143307
PubChem CID:	53184569
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-130.11
Dipole, Da:	6.56
IP(EA), eV:	-9.39(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-1-[4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COCCCNC(=O)C1CN(CC12CCCCC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations