Geometry & MOs

Info

ID:	184340
PubChem CID:	77147510
Reduced:	BrN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	205.071448
ΔH_f, kcal/mol:	-35.27
Dipole, Da:	6.22
IP(EA), eV:	-9.65(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,1,2-trifluoropropan-2-yloxy)aniline

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(C2)CN3C4=C(C=CC(=C4)C(=O)O)N=C3C5=CC=C(C=C5)Br

DOS

IR

Vibrations