Geometry & MOs

Info

ID:	193678
PubChem CID:	78422842
Reduced:	O3N6C12H13 (1)
Stoich.:	A3B6C12D13 (1)
Weight, g/mol:	273.112684
ΔH_f, kcal/mol:	21.4
Dipole, Da:	4.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758123
Charge, e:	-1

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.2]octanyloxycarbonyl)benzoate

Drug info:

PubChemData

Smile

CC(C(=NC1NNNN1)[O-])N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations