Geometry & MOs

Info

ID:	290887
PubChem CID:	111452368
Reduced:	NCl2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-147.62
Dipole, Da:	5.27
IP(EA), eV:	-9.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-hydroxyethyl)piperidin-1-yl]-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCOCCCC(=O)NCC(C1=C(C=CC=C1Cl)Cl)O

DOS

IR

Vibrations