Geometry & MOs

Info

ID:	146740
PubChem CID:	53742103
Reduced:	SN2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	355.170292
ΔH_f, kcal/mol:	66.44
Dipole, Da:	3.7
IP(EA), eV:	-8.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(6-chloro-4-methyloctoxy)phenyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(NC(=N2)C3=CC=CS3)C

DOS

IR

Vibrations