Geometry & MOs

Info

ID:	408589
PubChem CID:	135081356
Reduced:	ON2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	242.115424
ΔH_f, kcal/mol:	-10.63
Dipole, Da:	1.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757170
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4R)-3-carbonoperoxoyl-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=[N+](C)C)CC(C1=CC=CC=C1)N(C)C

DOS

IR

Vibrations