Geometry & MOs

Info

ID:	80644
PubChem CID:	49835715
Reduced:	FN9C22H28 (1)
Stoich.:	AB9C22D28 (1)
Weight, g/mol:	496.250812
ΔH_f, kcal/mol:	79.66
Dipole, Da:	1.57
IP(EA), eV:	-8.58(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[6-tert-butyl-8-(6-methyl-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]-4,4-dimethylpyrrolidin-3-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC2=NC(=NC(=N2)NC3=NNC(=C3)C4CC4)N5CCN(CC5)C

DOS

IR

Vibrations