Geometry & MOs

Info

ID:	63096
PubChem CID:	26744236
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	6.44
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-1-benzyl-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2C[C@@H](C[C@H]2C3=NC(=NO3)C4CC4)O

DOS

IR

Vibrations