Geometry & MOs

Info

ID:	378529
PubChem CID:	134224616
Reduced:	FNO3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	606.309372
ΔH_f, kcal/mol:	-197.35
Dipole, Da:	0.92
IP(EA), eV:	-9.21(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2R,3S,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCOC2CN(C)C(=O)OC(C)(C)C)C=C1)F

DOS

IR

Vibrations