Geometry & MOs

Info

ID:	30169
PubChem CID:	840426
Reduced:	NO3C5H5 (2)
Stoich.:	AB3C5D5 (2)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-95.3
Dipole, Da:	6.63
IP(EA), eV:	-9.43(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R)-1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(=C(C=C1)C=NO)[N+](=O)[O-])OC

DOS

IR

Vibrations