Geometry & MOs

Info

ID:	51790
PubChem CID:	12014531
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	369.147727
ΔH_f, kcal/mol:	-106.43
Dipole, Da:	4.72
IP(EA), eV:	-9.57(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,1'S,7R,7'S)-4-phenylspiro[2,4,6-triazatricyclo[6.5.0.02,6]trideca-8,10,12-triene-7,6'-bicyclo[5.1.0]octa-2,4-diene]-3,5-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations