Geometry & MOs

Info

ID:	419860
PubChem CID:	135109446
Reduced:	FO2N5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-26.21
Dipole, Da:	3.83
IP(EA), eV:	-9.3(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN(C)CCC2=NC3=C(N2)C=C(C=C3)F

DOS

IR

Vibrations