Geometry & MOs

Info

ID:	207127
PubChem CID:	80350518
Reduced:	NOSCl2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	258.069054
ΔH_f, kcal/mol:	-9.87
Dipole, Da:	4.19
IP(EA), eV:	-8.75(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)SC2=CC(=C(C=C2N)Cl)Cl

DOS

IR

Vibrations