Geometry & MOs

Info

ID:	418553
PubChem CID:	135105747
Reduced:	OCl2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-33.58
Dipole, Da:	1.94
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=C(C=C(C=N3)Cl)Cl)CO

DOS

IR

Vibrations