Geometry & MOs

Info

ID:	256634
PubChem CID:	103140353
Reduced:	N5C14H27 (1)
Stoich.:	A5B14C27 (1)
Weight, g/mol:	235.110947
ΔH_f, kcal/mol:	42.09
Dipole, Da:	2.69
IP(EA), eV:	-8.26(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(isoquinolin-8-ylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CCC(CC)(C(C1=NN(C=C1)C)NN)N2CCCC2

DOS

IR

Vibrations