Geometry & MOs

Info

ID:	136593
PubChem CID:	52070271
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	461.231456
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	4.04
IP(EA), eV:	-8.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations