Geometry & MOs

Info

ID:	431986
PubChem CID:	135172114
Reduced:	N4C21H40 (1)
Stoich.:	A4B21C40 (1)
Weight, g/mol:	325.94736
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	2.32
IP(EA), eV:	-8.38(2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-iodopropan-2-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(C)N1CC2CCNCC(C2C1)C3C4CN(CC4CCN3)C(C)C

DOS

IR

Vibrations