Geometry & MOs

Info

ID:	422736
PubChem CID:	135118322
Reduced:	F2N3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-178.07
Dipole, Da:	5.34
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-[(2-prop-2-enoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C(C)OC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations