Geometry & MOs

Info

ID:	422479
PubChem CID:	135117905
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	387.1646
ΔH_f, kcal/mol:	-103.45
Dipole, Da:	5.27
IP(EA), eV:	-9.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)-1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

C1COCCC1C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations