Geometry & MOs

Info

ID:	309910
PubChem CID:	126566539
Reduced:	FON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	347.17644
ΔH_f, kcal/mol:	2.75
Dipole, Da:	4.23
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(3S)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-propan-2-yl-1,2-benzoxazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=NO2)N[C@H]3C4CCN(C35CC5)CC4)F

DOS

IR

Vibrations