Geometry & MOs

Info

ID:	63128
PubChem CID:	26744323
Reduced:	N5O6H17C19 (1)
Stoich.:	A5B6C17D19 (1)
Weight, g/mol:	456.164499
ΔH_f, kcal/mol:	23.33
Dipole, Da:	9.4
IP(EA), eV:	-9.95(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-])O

DOS

IR

Vibrations