Geometry & MOs

Info

ID:	288180
PubChem CID:	104312997
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	339.01379
ΔH_f, kcal/mol:	82.27
Dipole, Da:	2.25
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-2-(3-chloropyridin-4-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CCNC(C1=NC=C(C=C1)Br)C2=CN=CC3=CC=CC=C32

DOS

IR

Vibrations