Geometry & MOs

Info

ID:	418742
PubChem CID:	135106675
Reduced:	FN3O5C19H24 (1)
Stoich.:	AB3C5D19E24 (1)
Weight, g/mol:	409.166938
ΔH_f, kcal/mol:	-178.46
Dipole, Da:	4.59
IP(EA), eV:	-9.14(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1H-indol-2-yl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)NCC3CCN(CC3)CCO)C(=O)O)F

DOS

IR

Vibrations