Geometry & MOs

Info

ID:	136591
PubChem CID:	52070156
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-47.91
Dipole, Da:	5.03
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-1-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCN(CC2)CC3=C(OC(=N3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations