Geometry & MOs

Info

ID:	414857
PubChem CID:	135087829
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	83.01
Dipole, Da:	3.51
IP(EA), eV:	-8.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1NCC2=NOC(=C2)C3CC3

DOS

IR

Vibrations