Geometry & MOs

Info

ID:	63123
PubChem CID:	26744311
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	384.123383
ΔH_f, kcal/mol:	28.73
Dipole, Da:	1.71
IP(EA), eV:	-8.2(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN2C[C@@H](C[C@H]2C3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])O

DOS

IR

Vibrations