Geometry & MOs

Info

ID:	382198
PubChem CID:	134973188
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	455.246044
ΔH_f, kcal/mol:	-131.27
Dipole, Da:	2.66
IP(EA), eV:	-9.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H]3C[C@H]([C@@H]2O1)C4=NC(=NC=C34)NC(=O)C5=CC=CC=C5C(=O)OC)C

DOS

IR

Vibrations