Geometry & MOs

Info

ID:	382072
PubChem CID:	134972993
Reduced:	NO6C35H43 (1)
Stoich.:	AB6C35D43 (1)
Weight, g/mol:	455.246044
ΔH_f, kcal/mol:	-211.89
Dipole, Da:	3.61
IP(EA), eV:	-9.15(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,8R)-5-methyl-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,7,8-tetrahydro-1H-pyrrolizine

Drug info:

PubChemData

Smile

CC(=O)CC[C@@H]1[C@@H]([C@@H]([C@@H](N1C(=O)OC(C)(C)C)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations