Geometry & MOs

Info

ID:	427199
PubChem CID:	135156085
Reduced:	ClN4O6H41C42 (1)
Stoich.:	AB4C6D41E42 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-114.07
Dipole, Da:	7.02
IP(EA), eV:	-8.92(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-tert-butyl-5-(1,3-dioxolan-2-yl)pyridine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CC5CCC(C4)O5)COC6=C(C=C(C(=C6)OCC7=CC(=CN=C7)C#N)CN8CCCC[C@H]8C(=O)O)Cl

DOS

IR

Vibrations