Geometry & MOs

Info

ID:	121058
PubChem CID:	50754343
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-95.93
Dipole, Da:	5.09
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCOCC4

DOS

IR

Vibrations