Geometry & MOs

Info

ID:	152581
PubChem CID:	56311549
Reduced:	O2N3C26H35 (1)
Stoich.:	A2B3C26D35 (1)
Weight, g/mol:	490.224991
ΔH_f, kcal/mol:	-53.11
Dipole, Da:	0.66
IP(EA), eV:	-8.15(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NCC3CCN(C3)C4=CC=CC=C4

DOS

IR

Vibrations