Geometry & MOs

Info

ID:	121054
PubChem CID:	50754339
Reduced:	ON4H16C18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	69.98
Dipole, Da:	1.64
IP(EA), eV:	-8.77(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC2=NN3C=NC4=CC=CC=C4C3=N2)C

DOS

IR

Vibrations