Geometry & MOs

Info

ID:	418341
PubChem CID:	135104234
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	9.6
Dipole, Da:	3.24
IP(EA), eV:	-8.3(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-(1H-pyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3)N(C)C)C

DOS

IR

Vibrations