Geometry & MOs

Info

ID:	309908
PubChem CID:	126566509
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	337.074868
ΔH_f, kcal/mol:	-145.68
Dipole, Da:	2.15
IP(EA), eV:	-8.39(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dichloro-N-[(3R)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1,2-benzoxazol-3-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N[C@@H]2C3CCN(C2(C)C)CC3.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations