Geometry & MOs

Info

ID:	205725
PubChem CID:	80144526
Reduced:	ClFOSN4H8C12 (1)
Stoich.:	ABCDE4F8G12 (1)
Weight, g/mol:	306.156598
ΔH_f, kcal/mol:	3.1
Dipole, Da:	4.55
IP(EA), eV:	-8.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(ethylamino)ethyl]-4-fluoro-N,5-dimethyl-N-(thiophen-3-ylmethyl)aniline

Drug info:

PubChemData

Smile

COC1=NC=NC2=C1NC(=S)N2C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations