Geometry & MOs

Info

ID:	417930
PubChem CID:	135103085
Reduced:	FO2N4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-83.15
Dipole, Da:	3.74
IP(EA), eV:	-9.14(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)benzonitrile

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1F)NC2CCCCNC2=O

DOS

IR

Vibrations