Geometry & MOs

Info

ID:	380671
PubChem CID:	134971191
Reduced:	NO3C19H26 (1)
Stoich.:	AB3C19D26 (1)
Weight, g/mol:	380.128691
ΔH_f, kcal/mol:	-94.11
Dipole, Da:	3.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762707
Charge, e:	0

Chem-info

IUPAC name:

copper;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@]1(CC[C@@]([N]1)(C2=CC=CC=C2)O)CCC=C(C)C

DOS

IR

Vibrations