Geometry & MOs

Info

ID:	251051
PubChem CID:	103101148
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	3.76
IP(EA), eV:	-8.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8-aminoisoquinolin-5-yl)-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=CC(=C(C=C1)N)C(=O)C

DOS

IR

Vibrations