Geometry & MOs

Info

ID:	311310
PubChem CID:	126590385
Reduced:	FSN3O3C25H30 (1)
Stoich.:	ABC3D3E25F30 (1)
Weight, g/mol:	485.16779
ΔH_f, kcal/mol:	-103.83
Dipole, Da:	4.61
IP(EA), eV:	-8.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 8-(3-bromo-5-ethyl-2,6-dimethylpyridin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate

Drug info:

PubChemData

Smile

C/C=C(\C1=C(C=C(S1)C2=CCCN(C2)C)N=C)/OC3=C(C=C(C=C3)NC(=O)OC(C)(C)C)F

DOS

IR

Vibrations