Geometry & MOs

Info

ID:	207686
PubChem CID:	80438009
Reduced:	ClNC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	226.112443
ΔH_f, kcal/mol:	-38.32
Dipole, Da:	4.04
IP(EA), eV:	-9.06(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-5-methylhexyl)phenol

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CCC(CC(C)C)Cl)CC

DOS

IR

Vibrations