Geometry & MOs

Info

ID:	43227
PubChem CID:	10319929
Reduced:	OSN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	419.151288
ΔH_f, kcal/mol:	92.32
Dipole, Da:	7.39
IP(EA), eV:	-8.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(5-chloro-1,3-dihydrobenzimidazol-2-ylidene)quinolin-2-one

Drug info:

PubChemData

Smile

CC(CN1CCOCC1)C2=NN=C3N2NC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations