Geometry & MOs

Info

ID:	190335
PubChem CID:	77988604
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	6.58
IP(EA), eV:	-9.31(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-6,9,10,10a-tetrahydro-5H-imidazo[1,5-a]azocine-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=CCCCC2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations