Geometry & MOs

Info

ID:	43438
PubChem CID:	10321296
Reduced:	O2N7C24H27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	445.216555
ΔH_f, kcal/mol:	50.17
Dipole, Da:	8.03
IP(EA), eV:	-9.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoro-1H-indol-3-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CCCC(=O)O

DOS

IR

Vibrations