Geometry & MOs

Info

ID:	193407
PubChem CID:	78391542
Reduced:	BrN2O3H39C42 (1)
Stoich.:	AB2C3D39E42 (1)
Weight, g/mol:	300.175686
ΔH_f, kcal/mol:	35.5
Dipole, Da:	5.55
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-2-yn-1-ol

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC#CC(C1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations