Geometry & MOs

Info

ID:	63131
PubChem CID:	26744343
Reduced:	N4O4C15H18 (1)
Stoich.:	A4B4C15D18 (1)
Weight, g/mol:	420.167179
ΔH_f, kcal/mol:	-9.5
Dipole, Da:	6.46
IP(EA), eV:	-9.39(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H](C[C@H]1C2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])O

DOS

IR

Vibrations