Geometry & MOs

Info

ID:	383325
PubChem CID:	134974986
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	361.09026
ΔH_f, kcal/mol:	-234.07
Dipole, Da:	2.79
IP(EA), eV:	-9.48(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,10R)-10-(4-iodobutyl)-7-azatricyclo[7.2.1.02,7]dodecan-11-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H]2CC(C1O)CN(C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations