Geometry & MOs

Info

ID:	288231
PubChem CID:	104313843
Reduced:	BrSN3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	338.01854
ΔH_f, kcal/mol:	37.09
Dipole, Da:	2.47
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(3-chlorophenyl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=NC(=CS1)C(C)(C)C)C2=C(C=CC=N2)Br

DOS

IR

Vibrations