Geometry & MOs

Info

ID:	136603
PubChem CID:	52072080
Reduced:	N4O5C27H32 (1)
Stoich.:	A4B5C27D32 (1)
Weight, g/mol:	459.219178
ΔH_f, kcal/mol:	-123.14
Dipole, Da:	0.83
IP(EA), eV:	-8.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CN3CCC(CC3)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5

DOS

IR

Vibrations