Geometry & MOs

Info

ID:	256332
PubChem CID:	103138521
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	303.033003
ΔH_f, kcal/mol:	-52.99
Dipole, Da:	4.74
IP(EA), eV:	-8.66(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2,6-dichlorophenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C3C(=CC=C2)OCCO3)O

DOS

IR

Vibrations