Geometry & MOs

Info

ID:	168872
PubChem CID:	75031464
Reduced:	BrO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	412.243372
ΔH_f, kcal/mol:	0.98
Dipole, Da:	1.55
IP(EA), eV:	-9.34(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CCN1C(=O)C2C(N=CN2CC3=CC(=C(C=C3)O)Br)N4C1=NC5C4CCC5

DOS

IR

Vibrations