Geometry & MOs

Info

ID:	311311
PubChem CID:	126590386
Reduced:	BrO2N3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	489.259169
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	1.84
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[4-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-5-ethyl-2,6-dimethylpyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=C1N2CCC3(CC2)CCN(C3)C(=O)OCC4=CC=CC=C4)Br)C)C

DOS

IR

Vibrations