Geometry & MOs

Info

ID:	168342
PubChem CID:	74954410
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	397.195426
ΔH_f, kcal/mol:	-59.82
Dipole, Da:	2.95
IP(EA), eV:	-8.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-yl)-6-[[(4-fluorophenyl)methylamino]methyl]quinolin-2-amine

Drug info:

PubChemData

Smile

COC1CCN(CC1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3)NC4CCC5=CC=CC=C45

DOS

IR

Vibrations