Geometry & MOs

Info

ID:	197956
PubChem CID:	79021196
Reduced:	BrN4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	201.072055
ΔH_f, kcal/mol:	38.19
Dipole, Da:	3.91
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-N-ethylethanamine

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=C(C=C(C=N2)N)Br

DOS

IR

Vibrations