Geometry & MOs

Info

ID:	127635
PubChem CID:	51009482
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	524.988219
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	0.85
IP(EA), eV:	-9.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S,10S)-3,4,5,6-tetrachloro-1-methoxy-10-(2-methoxyphenyl)-11-phenyl-12-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1)C[C@@]2(C3=CC=CC=N3)O

DOS

IR

Vibrations