Geometry & MOs

Info

ID:	417501
PubChem CID:	135095950
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	-122.21
Dipole, Da:	5.5
IP(EA), eV:	-8.42(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations