Geometry & MOs

Info

ID:	418234
PubChem CID:	135103924
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	412.216221
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	7.0
IP(EA), eV:	-8.21(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl-methylamino]-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1)CCN(C)CC2=CC(=CC=C2)SC

DOS

IR

Vibrations