Geometry & MOs

Info

ID:	256484
PubChem CID:	103139541
Reduced:	IN4H9C12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	117.11
Dipole, Da:	5.93
IP(EA), eV:	-8.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,5-diethyl-1,2,4-triazol-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C2C=NC=CC2=C1N)N3C=C(C=N3)I

DOS

IR

Vibrations