Geometry & MOs

Info

ID:	420636
PubChem CID:	135114522
Reduced:	NF3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	430.283158
ΔH_f, kcal/mol:	-286.91
Dipole, Da:	5.82
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-yl)-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=CC(=CC=C4)OC(F)(F)F)OCC2

DOS

IR

Vibrations