Geometry & MOs

Info

ID:	380672
PubChem CID:	134971192
Reduced:	CuNO3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.993924
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,5S,8R)-5-hydroxy-5-phenyl-3-propan-2-yl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]12CC[C@H](N1[C@](CC2)(C3=CC=CC=C3)O)C(C)C.[Cu]

DOS

IR

Vibrations