Geometry & MOs

Info

ID:	59169
PubChem CID:	24775676
Reduced:	NO2C25H31 (1)
Stoich.:	AB2C25D31 (1)
Weight, g/mol:	377.235479
ΔH_f, kcal/mol:	-48.52
Dipole, Da:	2.94
IP(EA), eV:	-8.36(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,7R,9S)-7,9-bis(4-methoxyphenyl)-8-azatricyclo[6.3.1.04,12]dodecane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CC[C@H]3CC[C@@H]4C3N2[C@@H](CC4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations