Geometry & MOs

Info

ID:	288190
PubChem CID:	104313360
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	295.99828
ΔH_f, kcal/mol:	-13.04
Dipole, Da:	3.13
IP(EA), eV:	-8.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-3-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(C3=C(C=CC=N3)Br)N

DOS

IR

Vibrations