Geometry & MOs

Info

ID:	288183
PubChem CID:	104313138
Reduced:	FBr2N2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	282.07316
ΔH_f, kcal/mol:	4.8
Dipole, Da:	5.42
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-N-propylpent-4-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations