Geometry & MOs

Info

ID:	256418
PubChem CID:	103139126
Reduced:	NOCl2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	317.048653
ΔH_f, kcal/mol:	10.79
Dipole, Da:	1.71
IP(EA), eV:	-9.28(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations