Geometry & MOs

Info

ID:	166317
PubChem CID:	74669771
Reduced:	O3N4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-98.91
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754690
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)C(=O)N

DOS

IR

Vibrations