Geometry & MOs

Info

ID:	315333
PubChem CID:	126625640
Reduced:	IO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	346.04298
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	2.29
IP(EA), eV:	-10.17(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1-iodopropan-2-yl)benzoate

Drug info:

PubChemData

Smile

CC1(CCCC1)OC(=O)CI

DOS

IR

Vibrations