Geometry & MOs

Info

ID:	323445
PubChem CID:	126674841
Reduced:	ClON6H15C19 (1)
Stoich.:	ABC6D15E19 (1)
Weight, g/mol:	299.107692
ΔH_f, kcal/mol:	102.78
Dipole, Da:	7.12
IP(EA), eV:	-8.63(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-tert-butyl-2-methylphenoxy)-2-chlorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)O/C(=C/N)/C=N)N4C2=NC=C4

DOS

IR

Vibrations