Geometry & MOs

Info

ID:	422255
PubChem CID:	135117517
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	357.155178
ΔH_f, kcal/mol:	21.07
Dipole, Da:	7.49
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1NCC2=NC(=O)C3=CC=CC=C3N2)N4CCCC4)C

DOS

IR

Vibrations