Geometry & MOs

Info

ID:	256087
PubChem CID:	103136939
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	303.033003
ΔH_f, kcal/mol:	-155.92
Dipole, Da:	4.66
IP(EA), eV:	-8.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations