Geometry & MOs

Info

ID:	209908
PubChem CID:	80739030
Reduced:	BrClON2S2H8C14 (1)
Stoich.:	ABCD2E2F8G14 (1)
Weight, g/mol:	274.148141
ΔH_f, kcal/mol:	29.5
Dipole, Da:	2.31
IP(EA), eV:	-8.77(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-fluorophenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CSC2=C1SC(=C2)C(C3=CC4=C(C=C3Br)NC(=O)N4)Cl

DOS

IR

Vibrations