Geometry & MOs

Info

ID:	150621
PubChem CID:	53790314
Reduced:	OCl2N2H6C10 (1)
Stoich.:	AB2C2D6E10 (1)
Weight, g/mol:	226.266051
ΔH_f, kcal/mol:	4.58
Dipole, Da:	4.61
IP(EA), eV:	-10.2(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6,6,10-pentamethylundecane

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)C(=O)Cl)Cl

DOS

IR

Vibrations