Geometry & MOs

Info

ID:	417535
PubChem CID:	135099576
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	2.98
IP(EA), eV:	-8.87(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-5-methylpyrazol-3-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC4=C(C=C3)OCC4)CO

DOS

IR

Vibrations