Geometry & MOs

Info

ID:	202891
PubChem CID:	79739986
Reduced:	Cl2N4H10C11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	340.03867
ΔH_f, kcal/mol:	65.74
Dipole, Da:	2.98
IP(EA), eV:	-9.81(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)-(5-fluoropyridin-2-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CC2=NC(=NC(=N2)Cl)Cl

DOS

IR

Vibrations