Geometry & MOs

Info

ID:	340261
PubChem CID:	127262272
Reduced:	Cl2N2O3H14C17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	358.07797
ΔH_f, kcal/mol:	-42.07
Dipole, Da:	5.76
IP(EA), eV:	-9.66(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-3-hydroxy-4-(3-methylbutyl)phenyl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC1=C(C=C(C=C1Cl)/C=C/C=C(C#N)C#N)Cl

DOS

IR

Vibrations