Geometry & MOs

Info

ID:	238647
PubChem CID:	92764873
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-24.69
Dipole, Da:	1.82
IP(EA), eV:	-8.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(C[C@@H]2CCO)CC3=CC=C(C=C3)OC4=NC=CC=N4

DOS

IR

Vibrations