Geometry & MOs

Info

ID:	419978
PubChem CID:	135110486
Reduced:	NO6C15H15 (1)
Stoich.:	AB6C15D15 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-204.63
Dipole, Da:	6.03
IP(EA), eV:	-10.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=CC=C(C=C3)CO)C(=O)O)C(=O)O

DOS

IR

Vibrations