Geometry & MOs

Info

ID:	288220
PubChem CID:	104313687
Reduced:	BrN2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	375.90675
ΔH_f, kcal/mol:	53.13
Dipole, Da:	3.25
IP(EA), eV:	-8.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(5-bromothiophen-2-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)CC(C2=C(C=CC=N2)Br)NC

DOS

IR

Vibrations