Geometry & MOs

Info

ID:	437896
PubChem CID:	135227235
Reduced:	N2O6C16H19 (2)
Stoich.:	A2B6C16D19 (2)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-241.2
Dipole, Da:	4.96
IP(EA), eV:	-8.23(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6R,8S)-11,11-dimethyl-9-azadispiro[3.1.46.14]undecane-8-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OCCOC(=O)C2=CC(=CC=C2)OCC(CO[N+](=O)[O-])O[N+](=O)[O-])C)C)C(=NC)NC3=C(C(=CC(=C3)OC)OC)C

DOS

IR

Vibrations