Geometry & MOs

Info

ID:	417901
PubChem CID:	135103036
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-108.57
Dipole, Da:	4.95
IP(EA), eV:	-8.55(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCS(=O)(=O)C

DOS

IR

Vibrations