Geometry & MOs

Info

ID:	419603
PubChem CID:	135108537
Reduced:	FN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-102.85
Dipole, Da:	4.16
IP(EA), eV:	-8.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1-propan-2-ylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC)CC

DOS

IR

Vibrations