Geometry & MOs

Info

ID:	415212
PubChem CID:	135088204
Reduced:	SN2O4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-156.1
Dipole, Da:	5.39
IP(EA), eV:	-8.63(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CSC3=CC=CC(=C3)OC)C(=O)O

DOS

IR

Vibrations