Geometry & MOs

Info

ID:	136619
PubChem CID:	52074585
Reduced:	N3O4C28H36 (1)
Stoich.:	A3B4C28D36 (1)
Weight, g/mol:	445.257671
ΔH_f, kcal/mol:	-92.09
Dipole, Da:	7.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942984
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCC(CC3)C(=O)NCCC4=CC(=CC=C4)OC

DOS

IR

Vibrations