Geometry & MOs

Info

ID:	291707
PubChem CID:	113460175
Reduced:	NCl2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	268.159393
ΔH_f, kcal/mol:	17.38
Dipole, Da:	2.33
IP(EA), eV:	-9.74(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-chloro-2-methyl-4-(3-methylbutoxy)butyl]benzene

Drug info:

PubChemData

Smile

CC(CC1=C(C=NC=C1)Cl)C(C2=CC=CC=C2)Cl

DOS

IR

Vibrations