Geometry & MOs

Info

ID:	288182
PubChem CID:	104313078
Reduced:	BrF2N2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	415.9722
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	3.04
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-bromo-3-fluorophenyl)-1-(5-bromopyridin-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=C(C=C1)F)F)C2=NC=C(C=C2)Br

DOS

IR

Vibrations