Geometry & MOs

Info

ID:	417410
PubChem CID:	135093405
Reduced:	FO3N4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	-97.32
Dipole, Da:	4.01
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations