Geometry & MOs

Info

ID:	204934
PubChem CID:	80034497
Reduced:	ON2F4H8C13 (1)
Stoich.:	AB2C4D8E13 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-182.21
Dipole, Da:	4.9
IP(EA), eV:	-9.46(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-tert-butyl-2-methylphenoxy)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)C2=C(N=CC=C2)N

DOS

IR

Vibrations