Geometry & MOs

Info

ID:	411631
PubChem CID:	135084463
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	322.09637
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	3.5
IP(EA), eV:	-8.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(bromomethyl)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC=N1)C=C=C

DOS

IR

Vibrations