Geometry & MOs

Info

ID:	256091
PubChem CID:	103136950
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	327.03711
ΔH_f, kcal/mol:	-135.54
Dipole, Da:	3.48
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-bromo-4-methylphenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC(=O)C2=CC(=C(C(=C2)Cl)Cl)N

DOS

IR

Vibrations