Geometry & MOs

Info

ID:	422371
PubChem CID:	135117705
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-66.73
Dipole, Da:	2.29
IP(EA), eV:	-9.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-N,2-dibenzyl-7-[2-(dimethylamino)-2-oxoethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)CC3=CC=C(C=C3)C4=CN=CC=C4

DOS

IR

Vibrations