Geometry & MOs

Info

ID:	392290
PubChem CID:	135014183
Reduced:	ON2H24C26 (1)
Stoich.:	AB2C24D26 (1)
Weight, g/mol:	413.06137
ΔH_f, kcal/mol:	36.42
Dipole, Da:	3.9
IP(EA), eV:	-8.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl (3-iodo-6-methyl-4-phenylcyclohex-3-en-1-yl) carbonate

Drug info:

PubChemData

Smile

C1CC(N(C1=O)CC2=CC=CC=C2)(CC3=CC=CC=C3)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations