Geometry & MOs

Info

ID:	405406
PubChem CID:	135073847
Reduced:	ON3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	311.08254
ΔH_f, kcal/mol:	74.55
Dipole, Da:	4.95
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-5-azido-2-(4-chlorophenyl)-3-phenylcyclopent-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C[C@H]([C@@H]2O)N=[N+]=[N-])C3=CC=CC=C3

DOS

IR

Vibrations