Geometry & MOs

Info

ID:	257189
PubChem CID:	103144289
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	78.86
Dipole, Da:	4.41
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-isoquinolin-8-yl-N-propylpyridin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1N)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations