Geometry & MOs

Info

ID:	265534
PubChem CID:	103529204
Reduced:	BrClOSN2C11H12 (1)
Stoich.:	ABCDE2F11G12 (1)
Weight, g/mol:	316.98385
ΔH_f, kcal/mol:	17.28
Dipole, Da:	3.97
IP(EA), eV:	-9.38(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(O1)CNCC2=CC(=C(S2)Cl)Br

DOS

IR

Vibrations