Geometry & MOs

Info

ID:	374737
PubChem CID:	131342573
Reduced:	BrNOF3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	248.03281
ΔH_f, kcal/mol:	-163.74
Dipole, Da:	2.51
IP(EA), eV:	-9.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-chlorobenzonitrile

Drug info:

PubChemData

Smile

C=C[C@H](C1=C(C(=CC(=C1)C(F)(F)F)Br)O)N

DOS

IR

Vibrations