Geometry & MOs

Info

ID:	141042
PubChem CID:	52808278
Reduced:	ON5C24H34 (1)
Stoich.:	AB5C24D34 (1)
Weight, g/mol:	427.247107
ΔH_f, kcal/mol:	14.96
Dipole, Da:	5.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962152
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

DOS

IR

Vibrations