Geometry & MOs

Info

ID:	422179
PubChem CID:	135117347
Reduced:	FO3N5C20H28 (1)
Stoich.:	AB3C5D20E28 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-80.47
Dipole, Da:	3.97
IP(EA), eV:	-8.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC)C

DOS

IR

Vibrations