Geometry & MOs

Info

ID:	408762
PubChem CID:	135081530
Reduced:	NO8C21H29 (1)
Stoich.:	AB8C21D29 (1)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	-372.44
Dipole, Da:	4.97
IP(EA), eV:	-9.61(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5R)-3-diazo-5-methoxybicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)O)[C@@H]([C@@H](C(=O)N[C@@H](CC(C)C)[C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1)O)O

DOS

IR

Vibrations