Geometry & MOs

Info

ID:	310094
PubChem CID:	126574250
Reduced:	BrN2O3C23H35 (1)
Stoich.:	AB2C3D23E35 (1)
Weight, g/mol:	494.21441
ΔH_f, kcal/mol:	-137.7
Dipole, Da:	1.7
IP(EA), eV:	-8.53(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[4-(2-azaspiro[4.5]decan-2-yl)-5-bromo-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CC3C(C2)C3(C)C)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations