Geometry & MOs

Info

ID:	267317
PubChem CID:	103581767
Reduced:	BrClSN2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	314.96372
ΔH_f, kcal/mol:	41.29
Dipole, Da:	5.08
IP(EA), eV:	-9.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations