Geometry & MOs

Info

ID:	233618
PubChem CID:	91146220
Reduced:	NB2O6C13H16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	436.171082
ΔH_f, kcal/mol:	-289.56
Dipole, Da:	2.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.961143
Charge, e:	0

Chem-info

IUPAC name:

1'-[[6-[(3,4-difluorophenyl)-nitrosomethyl]pyridin-3-yl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]

Drug info:

PubChemData

Smile

B(C1=CC(=C[N+](=C1)OB(C2=CC(=CC=C2)OC)O)OC)(O)O

DOS

IR

Vibrations