Geometry & MOs

Info

ID:	390722
PubChem CID:	135000551
Reduced:	OC12H24 (1)
Stoich.:	AB12C24 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	3.0
IP(EA), eV:	-9.73(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(2R)-2-methyl-1-nitrohexan-2-yl]benzene

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)CC(=O)C(C)C

DOS

IR

Vibrations