Geometry & MOs

Info

ID:	270829
PubChem CID:	103638340
Reduced:	SCl2N2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	336.025475
ΔH_f, kcal/mol:	77.44
Dipole, Da:	2.18
IP(EA), eV:	-9.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dichlorothiophen-3-yl)-quinolin-5-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CNC(C1=CC2=C(C=C1)N=CC=C2)C3=C(SC(=C3)Cl)Cl

DOS

IR

Vibrations