Geometry & MOs

Info

ID:	222507
PubChem CID:	85300953
Reduced:	N2O6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	348.248457
ΔH_f, kcal/mol:	-151.14
Dipole, Da:	5.16
IP(EA), eV:	-10.09(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,9a-dimethyl-4,5,5a,7,8,9-hexahydrobenzo[g][1]benzofuran-6-yl)methoxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CCC1C(NC1=O)C(C)C(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations