Geometry & MOs

Info

ID:	323424
PubChem CID:	126674778
Reduced:	F3N5O5C23H28 (1)
Stoich.:	A3B5C5D23E28 (1)
Weight, g/mol:	315.02588
ΔH_f, kcal/mol:	-323.49
Dipole, Da:	5.33
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(5-ethyl-2-methylphenoxy)benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(F)(F)F)NC(=O)NC2CCC(CC2)OC3=NC=NC(=C3)N4CCOCC4

DOS

IR

Vibrations