Geometry & MOs

Info

ID:	270320
PubChem CID:	103636032
Reduced:	BrSN3O3H12C13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	247.098412
ΔH_f, kcal/mol:	-1.17
Dipole, Da:	6.86
IP(EA), eV:	-9.5(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-fluoro-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations