Geometry & MOs

Info

ID:	392922
PubChem CID:	135018478
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	459.240959
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	2.88
IP(EA), eV:	-9.45(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,6S,7S,8S)-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)O)C3=N[C@H](CO3)C4=CC=CC=C4)C

DOS

IR

Vibrations