Geometry & MOs

Info

ID:	209834
PubChem CID:	80729554
Reduced:	BrN7H12C13 (1)
Stoich.:	AB7C12D13 (1)
Weight, g/mol:	262.129298
ΔH_f, kcal/mol:	116.1
Dipole, Da:	4.56
IP(EA), eV:	-9.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-methyl-5-propoxy-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=NC(=NC(=N2)N)N3C=CN=C3)Br

DOS

IR

Vibrations