Geometry & MOs

Info

ID:	256283
PubChem CID:	103138198
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	75.93
Dipole, Da:	2.9
IP(EA), eV:	-7.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(2-methoxypyridin-4-yl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations