Geometry & MOs

Info

ID:	411240
PubChem CID:	135084053
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	302.05315
ΔH_f, kcal/mol:	-25.75
Dipole, Da:	6.53
IP(EA), eV:	-10.25(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodo-3,3-dimethylbutyl)-4-methylbenzene

Drug info:

PubChemData

Smile

C=C(CCC(=O)O)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations