Geometry & MOs

Info

ID:	63051
PubChem CID:	26738253
Reduced:	NOC11H19 (2)
Stoich.:	ABC11D19 (2)
Weight, g/mol:	397.151195
ΔH_f, kcal/mol:	-163.43
Dipole, Da:	5.03
IP(EA), eV:	-9.32(1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)C2CCC(CC2)C(=O)N[C@@H]3CCCC[C@@H]3C

DOS

IR

Vibrations