Geometry & MOs

Info

ID:	183919
PubChem CID:	77089401
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	354.18559
ΔH_f, kcal/mol:	22.79
Dipole, Da:	2.13
IP(EA), eV:	-8.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-1,3-dimethylindol-2-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)OC4=NC=CC=N4

DOS

IR

Vibrations