Geometry & MOs

Info

ID:	390648
PubChem CID:	135000142
Reduced:	OH20C21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	13.55
Dipole, Da:	3.01
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(2R)-6-methyl-1-nitroheptan-2-yl]benzene

Drug info:

PubChemData

Smile

CC[C@@H](CC(=O)C1=CC=CC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations