Geometry & MOs

Info

ID:	309909
PubChem CID:	126566536
Reduced:	OCl2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	43.21
Dipole, Da:	4.89
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2CCC1[C@H](C23CC3)NC4=NOC5=C4C=CC(=C5Cl)Cl

DOS

IR

Vibrations