Geometry & MOs

Info

ID:	58818
PubChem CID:	24714903
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	342.174356
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	4.05
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CCN(CC1CC(=NO1)C2=CC=C(C=C2)Cl)CC(C)(C)O

DOS

IR

Vibrations