Geometry & MOs

Info

ID:	423312
PubChem CID:	135119298
Reduced:	FON2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	3.24
IP(EA), eV:	-8.81(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-methylpentan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations