Geometry & MOs

Info

ID:	420002
PubChem CID:	135110684
Reduced:	SN2O4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-171.88
Dipole, Da:	3.73
IP(EA), eV:	-9.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(2-methylpyrimidin-4-yl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4)O

DOS

IR

Vibrations