Geometry & MOs

Info

ID:	63154
PubChem CID:	26744431
Reduced:	N4O5C20H24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-112.16
Dipole, Da:	4.53
IP(EA), eV:	-9.08(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2C[C@@H](C[C@H]2C3=NC(=NO3)C4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations