Geometry & MOs

Info

ID:	288244
PubChem CID:	104314125
Reduced:	FBr2N2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	322.04809
ΔH_f, kcal/mol:	0.34
Dipole, Da:	2.91
IP(EA), eV:	-9.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromopyridin-2-yl)-(2-fluorophenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC1=CC(=C(C=C1)F)Br)C2=C(C=CC=N2)Br

DOS

IR

Vibrations