Geometry & MOs

Info

ID:	311282
PubChem CID:	126590210
Reduced:	FO2N3C37H46 (1)
Stoich.:	AB2C3D37E46 (1)
Weight, g/mol:	336.08373
ΔH_f, kcal/mol:	-116.75
Dipole, Da:	2.22
IP(EA), eV:	-8.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-azaspiro[2.5]octan-6-yl)-5-bromo-2,6-dimethylpyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC3=C(CN(CC3)CC4=CC=CC=C4F)C=C2)N5CCC6(CCCC6)CC5)CC(=O)OC(C)C

DOS

IR

Vibrations