Geometry & MOs

Info

ID:	297360
PubChem CID:	117616004
Reduced:	ClN4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	313.00892
ΔH_f, kcal/mol:	73.33
Dipole, Da:	7.35
IP(EA), eV:	-9.59(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)NC2=NC(=NC=C2)Cl)CC#N)C

DOS

IR

Vibrations