Geometry & MOs

Info

ID:	63114
PubChem CID:	26744293
Reduced:	N5O5C19H23 (1)
Stoich.:	A5B5C19D23 (1)
Weight, g/mol:	397.151195
ΔH_f, kcal/mol:	-55.55
Dipole, Da:	7.0
IP(EA), eV:	-9.44(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2C[C@@H](C[C@H]2C3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])O

DOS

IR

Vibrations