Geometry & MOs

Info

ID:	270908
PubChem CID:	103638691
Reduced:	BrO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	264.072177
ΔH_f, kcal/mol:	7.43
Dipole, Da:	7.98
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-3-(2-methyl-6-nitroanilino)propan-2-ol

Drug info:

PubChemData

Smile

CN1CCCC1CNC2=C(C=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations