Geometry & MOs

Info

ID:	256317
PubChem CID:	103138422
Reduced:	ON4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	254.127994
ΔH_f, kcal/mol:	28.94
Dipole, Da:	5.49
IP(EA), eV:	-8.96(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(C2=NN(C=C2)C)O)C

DOS

IR

Vibrations