Geometry & MOs

Info

ID:	151840
PubChem CID:	56310657
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	437.267842
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	4.75
IP(EA), eV:	-8.66(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations