Geometry & MOs

Info

ID:	12750
PubChem CID:	144922
Reduced:	ClC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	224.133178
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	2.35
IP(EA), eV:	-9.05(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-ditert-butyl-1-chlorobenzene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)Cl)C(C)(C)C

DOS

IR

Vibrations