Geometry & MOs

Info

ID:	309731
PubChem CID:	126556578
Reduced:	O3C19H22 (1)
Stoich.:	A3B19C22 (1)
Weight, g/mol:	376.05354
ΔH_f, kcal/mol:	-91.6
Dipole, Da:	3.08
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-iodopropyl)phenyl] 2-methylbutan-2-yl carbonate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations