Geometry & MOs

Info

ID:	256384
PubChem CID:	103138916
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	4.22
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[1-(dimethylamino)propan-2-yl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCCCCCCCCC(C1=CC=CC2=C1C=NC=C2)O

DOS

IR

Vibrations