Geometry & MOs

Info

ID:	406665
PubChem CID:	135078308
Reduced:	N3O4C9H9 (1)
Stoich.:	A3B4C9D9 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-59.0
Dipole, Da:	3.7
IP(EA), eV:	-10.03(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)CC(=O)NC1=NC=CC(=C1)[N+](=O)[O-]

DOS

IR

Vibrations