Geometry & MOs

Info

ID:	58696
PubChem CID:	24714736
Reduced:	FN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	3.85
IP(EA), eV:	-8.97(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

COCCNCC1=C(ON=C1C2=CC=C(C=C2)F)N3CCOCC3

DOS

IR

Vibrations