Geometry & MOs

Info

ID:	256219
PubChem CID:	103137832
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-80.36
Dipole, Da:	4.82
IP(EA), eV:	-10.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(N=N2)C(=O)OC

DOS

IR

Vibrations